2-(2,4-dimethoxyphenyl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide

C30H30N4O4 — CID 5455046

IUPAC2-(2,4-dimethoxyphenyl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(N4CCOCC4)cc3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C30H30N4O4/c1-20(21-8-10-22(11-9-21)34-14-16-38-17-15-34)32-33-30(35)26-19-28(31-27-7-5-4-6-24(26)27)25-13-12-23(36-2)18-29(25)37-3/h4-13,18-19H,14-17H2,1-3H3,(H,33,35)/b32-20-
InChIKeyXVDAQSNEKAZRTQ-RGXNXFOYSA-N
MW510.59 g/mol
LogP4.91
Rot. Bonds7

About 2-(2,4-dimethoxyphenyl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide

2-(2,4-dimethoxyphenyl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide (PubChem CID 5455046) has the molecular formula C30H30N4O4 and a molecular weight of 510.59 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide
PubChem CID5455046
Molecular FormulaC30H30N4O4
Molecular Weight510.59 g/mol
Exact Mass510.23
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(N4CCOCC4)cc3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C30H30N4O4/c1-20(21-8-10-22(11-9-21)34-14-16-38-17-15-34)32-33-30(35)26-19-28(31-27-7-5-4-6-24(26)27)25-13-12-23(36-2)18-29(25)37-3/h4-13,18-19H,14-17H2,1-3H3,(H,33,35)/b32-20-
InChIKeyXVDAQSNEKAZRTQ-RGXNXFOYSA-N
XLogP4.91
TPSA85.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.59
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(2,4-dimethoxyphenyl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide with MolForge

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Related Compounds

2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 6241165
2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
CID 26871461
2-(2,4-dimethoxyphenyl)-N-[(E)-1-(5-ethylthiophen-2-yl)propylideneamino]quinoline-4-carboxamide
CID 6106511
N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 6162942
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 135621517
2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide
CID 3575528
N-[1-(5-bromothiophen-2-yl)propylideneamino]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 3452259
methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 3464523
N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 4073542
2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 4193084
2-(2,4-dimethoxyphenyl)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 42749560
[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 35330401

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide (CID 5455046) is 2-(2,4-dimethoxyphenyl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(N4CCOCC4)cc3)c3ccccc3n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide?
The InChIKey is XVDAQSNEKAZRTQ-RGXNXFOYSA-N. The full InChI is InChI=1S/C30H30N4O4/c1-20(21-8-10-22(11-9-21)34-14-16-38-17-15-34)32-33-30(35)26-19-28(31-27-7-5-4-6-24(26)27)25-13-12-23(36-2)18-29(25)37-3/h4-13,18-19H,14-17H2,1-3H3,(H,33,35)/b32-20-.
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide?
2-(2,4-dimethoxyphenyl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide has a molecular weight of 510.59 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 5455046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).