3-phenyl-N-quinolin-3-ylprop-2-enamide

C18H14N2O — CID 4000416

IUPAC3-phenyl-N-quinolin-3-ylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1cnc2ccccc2c1
InChIInChI=1S/C18H14N2O/c21-18(11-10-14-6-2-1-3-7-14)20-16-12-15-8-4-5-9-17(15)19-13-16/h1-13H,(H,20,21)
InChIKeyRMTSGDUXRWGPQQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.89
Rot. Bonds3

About 3-phenyl-N-quinolin-3-ylprop-2-enamide

3-phenyl-N-quinolin-3-ylprop-2-enamide (PubChem CID 4000416) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-phenyl-N-quinolin-3-ylprop-2-enamide.

Molecular Properties

Compound Name3-phenyl-N-quinolin-3-ylprop-2-enamide
PubChem CID4000416
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name3-phenyl-N-quinolin-3-ylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1cnc2ccccc2c1
InChIInChI=1S/C18H14N2O/c21-18(11-10-14-6-2-1-3-7-14)20-16-12-15-8-4-5-9-17(15)19-13-16/h1-13H,(H,20,21)
InChIKeyRMTSGDUXRWGPQQ-UHFFFAOYSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide
CID 5372765
(E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide
CID 18146464
(E)-3-(1-benzofuran-2-yl)-N-quinolin-3-ylprop-2-enamide
CID 32840230
3-[4-(cyclohexylmethylamino)phenyl]-N-quinolin-3-ylprop-2-enamide
CID 66815738
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-quinolin-3-ylprop-2-enamide
CID 29330569
(E)-3-(4-methylphenyl)-N-quinolin-6-ylprop-2-enamide
CID 55731322
(Z)-N-[4-[2,6-bis[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]pyrimidin-4-yl]phenyl]-3-phenylprop-2-enamide
CID 99690618
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
methyl N-quinolin-3-ylcarbamate
CID 19697860
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
(E)-3-(3-methylphenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide
CID 46457220
1-methyl-1-phenyl-3-quinolin-3-ylurea
CID 886905

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-quinolin-3-ylprop-2-enamide?
The IUPAC name of 3-phenyl-N-quinolin-3-ylprop-2-enamide (CID 4000416) is 3-phenyl-N-quinolin-3-ylprop-2-enamide.
What is the SMILES notation for 3-phenyl-N-quinolin-3-ylprop-2-enamide?
The canonical SMILES for 3-phenyl-N-quinolin-3-ylprop-2-enamide is O=C(C=Cc1ccccc1)Nc1cnc2ccccc2c1.
What is the InChIKey of 3-phenyl-N-quinolin-3-ylprop-2-enamide?
The InChIKey is RMTSGDUXRWGPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c21-18(11-10-14-6-2-1-3-7-14)20-16-12-15-8-4-5-9-17(15)19-13-16/h1-13H,(H,20,21).
What are the key properties of 3-phenyl-N-quinolin-3-ylprop-2-enamide?
3-phenyl-N-quinolin-3-ylprop-2-enamide has a molecular weight of 274.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-quinolin-3-ylprop-2-enamide is sourced from PubChem (CID 4000416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).