(E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide

C19H16N2O — CID 1124742

IUPAC(E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H16N2O/c1-14-13-18(16-9-5-6-10-17(16)20-14)21-19(22)12-11-15-7-3-2-4-8-15/h2-13H,1H3,(H,20,21,22)/b12-11+
InChIKeyOKLCBIONBMUGBT-VAWYXSNFSA-N
MW288.35 g/mol
LogP4.20
Rot. Bonds3

About (E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide

(E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide (PubChem CID 1124742) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is (E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide
PubChem CID1124742
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name(E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H16N2O/c1-14-13-18(16-9-5-6-10-17(16)20-14)21-19(22)12-11-15-7-3-2-4-8-15/h2-13H,1H3,(H,20,21,22)/b12-11+
InChIKeyOKLCBIONBMUGBT-VAWYXSNFSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.20
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

N-(2-methylquinolin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 4148032
(E)-3-(3,4-dimethoxyphenyl)-N-(2-methylquinolin-4-yl)prop-2-enamide
CID 2331797
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
N-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide
CID 3439581
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
N-(2-methylquinolin-4-yl)-3-sulfanylbenzamide
CID 107020202
2,3-dimethyl-N-(2-methylquinolin-4-yl)quinoxaline-6-carboxamide
CID 29152059
N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 4248844

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide (CID 1124742) is (E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide is Cc1cc(NC(=O)/C=C/c2ccccc2)c2ccccc2n1.
What is the InChIKey of (E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide?
The InChIKey is OKLCBIONBMUGBT-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H16N2O/c1-14-13-18(16-9-5-6-10-17(16)20-14)21-19(22)12-11-15-7-3-2-4-8-15/h2-13H,1H3,(H,20,21,22)/b12-11+.
What are the key properties of (E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide?
(E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide has a molecular weight of 288.35 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 1124742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).