N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide

C32H32N4O4 — CID 6162942

IUPACN-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N/N=C(/C)c3ccc(NC(=O)C4CCCC4)cc3)c3ccccc3n2)c1
InChIInChI=1S/C32H32N4O4/c1-20(21-12-14-23(15-13-21)33-31(37)22-8-4-5-9-22)35-36-32(38)26-19-29(34-28-11-7-6-10-25(26)28)27-18-24(39-2)16-17-30(27)40-3/h6-7,10-19,22H,4-5,8-9H2,1-3H3,(H,33,37)(H,36,38)/b35-20-
InChIKeyXTYUIYPWAAGOIX-OJYCWLPVSA-N
MW536.63 g/mol
LogP6.20
Rot. Bonds8

About N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide

N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 6162942) has the molecular formula C32H32N4O4 and a molecular weight of 536.63 g/mol. Its IUPAC name is N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
PubChem CID6162942
Molecular FormulaC32H32N4O4
Molecular Weight536.63 g/mol
Exact Mass536.24
IUPAC NameN-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N/N=C(/C)c3ccc(NC(=O)C4CCCC4)cc3)c3ccccc3n2)c1
InChIInChI=1S/C32H32N4O4/c1-20(21-12-14-23(15-13-21)33-31(37)22-8-4-5-9-22)35-36-32(38)26-19-29(34-28-11-7-6-10-25(26)28)27-18-24(39-2)16-17-30(27)40-3/h6-7,10-19,22H,4-5,8-9H2,1-3H3,(H,33,37)(H,36,38)/b35-20-
InChIKeyXTYUIYPWAAGOIX-OJYCWLPVSA-N
XLogP6.20
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.63
LogP ≤ 56.20
H-Bond Donors ≤ 52
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-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 5045590
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
CID 4177101
N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 4073542
2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 1225611
2-(2,4-dimethoxyphenyl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 5455046
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide
CID 3473892
2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
CID 26871461
methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 3464523
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 135621517
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 6873344
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
CID 1358379

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide (CID 6162942) is N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)N/N=C(/C)c3ccc(NC(=O)C4CCCC4)cc3)c3ccccc3n2)c1.
What is the InChIKey of N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is XTYUIYPWAAGOIX-OJYCWLPVSA-N. The full InChI is InChI=1S/C32H32N4O4/c1-20(21-12-14-23(15-13-21)33-31(37)22-8-4-5-9-22)35-36-32(38)26-19-29(34-28-11-7-6-10-25(26)28)27-18-24(39-2)16-17-30(27)40-3/h6-7,10-19,22H,4-5,8-9H2,1-3H3,(H,33,37)(H,36,38)/b35-20-.
What are the key properties of N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide?
N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 536.63 g/mol, XLogP of 6.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 6162942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).