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

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

	Common Name	N'-(4-butoxybenzylidene)-2-(4-ethoxyphenyl)-4-quinolinecarbohydrazide	English Name	N'-(4-butoxybenzylidene)-2-(4-ethoxyphenyl)-4-quinolinecarbohydrazide
	CAS NO.	N/A	Molecular Weight	467.6
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₉H₂₉N₃O₃	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-ethoxyphenyl)-4-quinolinecarbohydrazide

Molecular Formula	C29H29N3O3
Molecular Weight	467.6
Exact Mass	467.22089180
LogP	6.30
Standard SMILES	CCCCOc1ccc(C=NNC(=O)c2cc(-c3ccc(OCC)cc3)nc3ccccc23)cc1
Canonical SMILES	CCCCOC1=CC=C(C=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OCC
Isomeric SMILES	CCCCOC1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OCC
Standard InChI Identifier	InChI=1S/C29H29N3O3/c1-3-5-18-35-24-14-10-21(11-15-24)20-30-32-29(33)26-19-28(31-27-9-7-6-8-25(26)27)22-12-16-23(17-13-22)34-4-2/h6-17,19-20H,3-5,18H2,1-2H3,(H,32,33)/b30-20+
Standard InChI Key	HAKJTQQXROPURA-TWKHWXDSSA-N
Compound Complexity	656.00
computational chemistry	Hydrogen Bond Acceptor Count：5 Hydrogen Bond Donor Count：1 Rotatable Bond Count：10 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：467.22089180