N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide

C24H19N3O2 — CID 6873142

IUPACN-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide
SMILESCC(/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12)=C\c1ccco1
InChIInChI=1S/C24H19N3O2/c1-17(14-19-10-7-13-29-19)16-25-27-24(28)21-15-23(18-8-3-2-4-9-18)26-22-12-6-5-11-20(21)22/h2-16H,1H3,(H,27,28)/b17-14+,25-16+
InChIKeyKJRSOBPNPHVCBC-HKGZSDAISA-N
MW381.44 g/mol
LogP5.31
Rot. Bonds5

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

N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide (PubChem CID 6873142) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide
PubChem CID6873142
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC NameN-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide
SMILESCC(/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12)=C\c1ccco1
InChIInChI=1S/C24H19N3O2/c1-17(14-19-10-7-13-29-19)16-25-27-24(28)21-15-23(18-8-3-2-4-9-18)26-22-12-6-5-11-20(21)22/h2-16H,1H3,(H,27,28)/b17-14+,25-16+
InChIKeyKJRSOBPNPHVCBC-HKGZSDAISA-N
XLogP5.31
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.31
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide (CID 6873142) is N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide is CC(/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12)=C\c1ccco1.
What is the InChIKey of N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide?
The InChIKey is KJRSOBPNPHVCBC-HKGZSDAISA-N. The full InChI is InChI=1S/C24H19N3O2/c1-17(14-19-10-7-13-29-19)16-25-27-24(28)21-15-23(18-8-3-2-4-9-18)26-22-12-6-5-11-20(21)22/h2-16H,1H3,(H,27,28)/b17-14+,25-16+.
What are the key properties of N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide?
N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 6873142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).