2-(4-chlorophenyl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinoline-4-carboxamide

C24H18ClN3O2 — CID 1226407

IUPAC2-(4-chlorophenyl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinoline-4-carboxamide
SMILESCC(C=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)=Cc1ccco1
InChIInChI=1S/C24H18ClN3O2/c1-16(13-19-5-4-12-30-19)15-26-28-24(29)21-14-23(17-8-10-18(25)11-9-17)27-22-7-3-2-6-20(21)22/h2-15H,1H3,(H,28,29)
InChIKeyVMRASZWZHQAJSO-UHFFFAOYSA-N
MW415.88 g/mol
LogP5.97
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinoline-4-carboxamide

2-(4-chlorophenyl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinoline-4-carboxamide (PubChem CID 1226407) has the molecular formula C24H18ClN3O2 and a molecular weight of 415.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinoline-4-carboxamide
PubChem CID1226407
Molecular FormulaC24H18ClN3O2
Molecular Weight415.88 g/mol
Exact Mass415.11
IUPAC Name2-(4-chlorophenyl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinoline-4-carboxamide
SMILESCC(C=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)=Cc1ccco1
InChIInChI=1S/C24H18ClN3O2/c1-16(13-19-5-4-12-30-19)15-26-28-24(29)21-14-23(17-8-10-18(25)11-9-17)27-22-7-3-2-6-20(21)22/h2-15H,1H3,(H,28,29)
InChIKeyVMRASZWZHQAJSO-UHFFFAOYSA-N
XLogP5.97
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55353125
2-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide
CID 5198522
2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide
CID 136658791
2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide
CID 1012448
N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 5161024
N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5006267
N-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3469190
N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3563023
2-(4-chlorophenyl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
CID 6006642
2-(4-chlorophenyl)-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135923671
N-[(Z)-[5-(5-chloro-2-methylphenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126045050

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinoline-4-carboxamide (CID 1226407) is 2-(4-chlorophenyl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinoline-4-carboxamide is CC(C=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)=Cc1ccco1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinoline-4-carboxamide?
The InChIKey is VMRASZWZHQAJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2/c1-16(13-19-5-4-12-30-19)15-26-28-24(29)21-14-23(17-8-10-18(25)11-9-17)27-22-7-3-2-6-20(21)22/h2-15H,1H3,(H,28,29).
What are the key properties of 2-(4-chlorophenyl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinoline-4-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinoline-4-carboxamide is sourced from PubChem (CID 1226407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).