2-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide

C29H21ClN4O3 — CID 5198522

IUPAC2-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C29H21ClN4O3/c1-18(19-10-14-22(15-11-19)31-29(36)27-7-4-16-37-27)33-34-28(35)24-17-26(20-8-12-21(30)13-9-20)32-25-6-3-2-5-23(24)25/h2-17H,1H3,(H,31,36)(H,34,35)
InChIKeyWDGPOCYCIRYZMQ-UHFFFAOYSA-N
MW508.97 g/mol
LogP6.55
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide

2-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide (PubChem CID 5198522) has the molecular formula C29H21ClN4O3 and a molecular weight of 508.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide
PubChem CID5198522
Molecular FormulaC29H21ClN4O3
Molecular Weight508.97 g/mol
Exact Mass508.13
IUPAC Name2-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C29H21ClN4O3/c1-18(19-10-14-22(15-11-19)31-29(36)27-7-4-16-37-27)33-34-28(35)24-17-26(20-8-12-21(30)13-9-20)32-25-6-3-2-5-23(24)25/h2-17H,1H3,(H,31,36)(H,34,35)
InChIKeyWDGPOCYCIRYZMQ-UHFFFAOYSA-N
XLogP6.55
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.97
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 5146403
N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5006267
N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3563023
N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 4073542
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6007896
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3806436
N-[1-(furan-2-yl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4687807
N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 1222709
N-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 27525119
N-[1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 5045590

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide (CID 5198522) is 2-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide is CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide?
The InChIKey is WDGPOCYCIRYZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21ClN4O3/c1-18(19-10-14-22(15-11-19)31-29(36)27-7-4-16-37-27)33-34-28(35)24-17-26(20-8-12-21(30)13-9-20)32-25-6-3-2-5-23(24)25/h2-17H,1H3,(H,31,36)(H,34,35).
What are the key properties of 2-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide has a molecular weight of 508.97 g/mol, XLogP of 6.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 5198522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).