(E)-3-(4-methylphenyl)-N-quinolin-6-ylprop-2-enamide

C19H16N2O — CID 55731322

IUPAC(E)-3-(4-methylphenyl)-N-quinolin-6-ylprop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc3ncccc3c2)cc1
InChIInChI=1S/C19H16N2O/c1-14-4-6-15(7-5-14)8-11-19(22)21-17-9-10-18-16(13-17)3-2-12-20-18/h2-13H,1H3,(H,21,22)/b11-8+
InChIKeyCXNIUODXGSMBLH-DHZHZOJOSA-N
MW288.35 g/mol
LogP4.20
Rot. Bonds3

About (E)-3-(4-methylphenyl)-N-quinolin-6-ylprop-2-enamide

(E)-3-(4-methylphenyl)-N-quinolin-6-ylprop-2-enamide (PubChem CID 55731322) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-N-quinolin-6-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-N-quinolin-6-ylprop-2-enamide
PubChem CID55731322
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name(E)-3-(4-methylphenyl)-N-quinolin-6-ylprop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc3ncccc3c2)cc1
InChIInChI=1S/C19H16N2O/c1-14-4-6-15(7-5-14)8-11-19(22)21-17-9-10-18-16(13-17)3-2-12-20-18/h2-13H,1H3,(H,21,22)/b11-8+
InChIKeyCXNIUODXGSMBLH-DHZHZOJOSA-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-hydroxy-3-quinolin-6-ylprop-2-enamide
CID 85112903
(E)-3-(1,3-benzothiazol-2-yl)-N-quinolin-6-ylprop-2-enamide
CID 55784269
(E)-N-methyl-3-quinolin-6-ylprop-2-enamide
CID 143759585
(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 7741781
3-phenyl-N-quinolin-3-ylprop-2-enamide
CID 4000416
3-(4-tert-butylphenyl)-N-quinoxalin-6-ylprop-2-enamide
CID 68870920
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
2-amino-2-methyl-N-quinolin-6-ylpropanamide
CID 62636163
N-(2-aminophenyl)-3-[4-[2-oxo-2-(propan-2-ylamino)-1-(quinolin-6-ylamino)ethyl]phenyl]prop-2-enamide
CID 68511126
N-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-phenylbenzamide
CID 17227789
(E)-N-(3-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 54777118
(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 967235

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)-N-quinolin-6-ylprop-2-enamide?
The IUPAC name of (E)-3-(4-methylphenyl)-N-quinolin-6-ylprop-2-enamide (CID 55731322) is (E)-3-(4-methylphenyl)-N-quinolin-6-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-methylphenyl)-N-quinolin-6-ylprop-2-enamide?
The canonical SMILES for (E)-3-(4-methylphenyl)-N-quinolin-6-ylprop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ccc3ncccc3c2)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)-N-quinolin-6-ylprop-2-enamide?
The InChIKey is CXNIUODXGSMBLH-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H16N2O/c1-14-4-6-15(7-5-14)8-11-19(22)21-17-9-10-18-16(13-17)3-2-12-20-18/h2-13H,1H3,(H,21,22)/b11-8+.
What are the key properties of (E)-3-(4-methylphenyl)-N-quinolin-6-ylprop-2-enamide?
(E)-3-(4-methylphenyl)-N-quinolin-6-ylprop-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)-3-(4-methylphenyl)-N-quinolin-6-ylprop-2-enamide is sourced from PubChem (CID 55731322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).