N'-(4-butoxybenzylidene)-2-(4-isopropylphenyl)-4-quinolinecarbohydrazide

Update Time: 2025-04-25 16:57:08

	Common Name	N'-(4-butoxybenzylidene)-2-(4-isopropylphenyl)-4-quinolinecarbohydrazide	English Name	N'-(4-butoxybenzylidene)-2-(4-isopropylphenyl)-4-quinolinecarbohydrazide
	CAS NO.	N/A	Molecular Weight	465.6
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₃₀H₃₁N₃O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	N'-(4-butoxybenzylidene)-2-(4-isopropylphenyl)-4-quinolinecarbohydrazide

Molecular Formula	C30H31N3O2
Molecular Weight	465.6
Exact Mass	465.24162724
LogP	7.10
Standard SMILES	CCCCOc1ccc(C=NNC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)cc1
Canonical SMILES	CCCCOC1=CC=C(C=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)C
Isomeric SMILES	CCCCOC1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)C
Standard InChI Identifier	InChI=1S/C30H31N3O2/c1-4-5-18-35-25-16-10-22(11-17-25)20-31-33-30(34)27-19-29(32-28-9-7-6-8-26(27)28)24-14-12-23(13-15-24)21(2)3/h6-17,19-21H,4-5,18H2,1-3H3,(H,33,34)/b31-20+
Standard InChI Key	JVOXCDOKTKHDKE-AJBULDERSA-N
Compound Complexity	665.00
computational chemistry	Hydrogen Bond Acceptor Count：4 Hydrogen Bond Donor Count：1 Rotatable Bond Count：9 Heavy Atom Count：35 Total Chiral Atom Count：0 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：0 Total Chiral Bond Count：1 Defined Chiral Bond Count：1 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：2 Monoisotopic Mass：465.24162724