2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide

C25H22N4O3 — CID 26871461

IUPAC2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N/N=C(/C)c3cccnc3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C25H22N4O3/c1-16(17-7-6-12-26-15-17)28-29-25(30)21-14-23(27-22-9-5-4-8-19(21)22)20-11-10-18(31-2)13-24(20)32-3/h4-15H,1-3H3,(H,29,30)/b28-16-
InChIKeySOKIFAVMNZNZEO-NTFVMDSBSA-N
MW426.48 g/mol
LogP4.47
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide

2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide (PubChem CID 26871461) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
PubChem CID26871461
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N/N=C(/C)c3cccnc3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C25H22N4O3/c1-16(17-7-6-12-26-15-17)28-29-25(30)21-14-23(27-22-9-5-4-8-19(21)22)20-11-10-18(31-2)13-24(20)32-3/h4-15H,1-3H3,(H,29,30)/b28-16-
InChIKeySOKIFAVMNZNZEO-NTFVMDSBSA-N
XLogP4.47
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4694326
2-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
CID 1226456
2-(2,4-dimethoxyphenyl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 5455046
2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
CID 25237307
2-(2,4-dimethoxyphenyl)-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 6875005
2-(2,4-dimethoxyphenyl)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 42749560
2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 4193084
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 135621517
2-(2,4-dimethoxyphenyl)-N-[(E)-1-(5-ethylthiophen-2-yl)propylideneamino]quinoline-4-carboxamide
CID 6106511
N-[1-(5-bromothiophen-2-yl)propylideneamino]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 3452259
N-[(E)-1-(5-chlorothiophen-2-yl)butylideneamino]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 6161756
N-[1-(5-chlorothiophen-2-yl)butylideneamino]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 4602945

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide (CID 26871461) is 2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)N/N=C(/C)c3cccnc3)c3ccccc3n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
The InChIKey is SOKIFAVMNZNZEO-NTFVMDSBSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-16(17-7-6-12-26-15-17)28-29-25(30)21-14-23(27-22-9-5-4-8-19(21)22)20-11-10-18(31-2)13-24(20)32-3/h4-15H,1-3H3,(H,29,30)/b28-16-.
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 26871461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).