(E)-N-(7-chloro-8-methylquinolin-4-yl)-3-phenylprop-2-enamide

C19H15ClN2O — CID 43860173

IUPAC(E)-N-(7-chloro-8-methylquinolin-4-yl)-3-phenylprop-2-enamide
SMILESCc1c(Cl)ccc2c(NC(=O)/C=C/c3ccccc3)ccnc12
InChIInChI=1S/C19H15ClN2O/c1-13-16(20)9-8-15-17(11-12-21-19(13)15)22-18(23)10-7-14-5-3-2-4-6-14/h2-12H,1H3,(H,21,22,23)/b10-7+
InChIKeyOJYWPVMTXJULJM-JXMROGBWSA-N
MW322.80 g/mol
LogP4.85
Rot. Bonds3

About (E)-N-(7-chloro-8-methylquinolin-4-yl)-3-phenylprop-2-enamide

(E)-N-(7-chloro-8-methylquinolin-4-yl)-3-phenylprop-2-enamide (PubChem CID 43860173) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is (E)-N-(7-chloro-8-methylquinolin-4-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(7-chloro-8-methylquinolin-4-yl)-3-phenylprop-2-enamide
PubChem CID43860173
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name(E)-N-(7-chloro-8-methylquinolin-4-yl)-3-phenylprop-2-enamide
SMILESCc1c(Cl)ccc2c(NC(=O)/C=C/c3ccccc3)ccnc12
InChIInChI=1S/C19H15ClN2O/c1-13-16(20)9-8-15-17(11-12-21-19(13)15)22-18(23)10-7-14-5-3-2-4-6-14/h2-12H,1H3,(H,21,22,23)/b10-7+
InChIKeyOJYWPVMTXJULJM-JXMROGBWSA-N
XLogP4.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.85
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

2,6-dichloro-N-[4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]quinolin-8-yl]benzamide
CID 19592675
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide
CID 952598
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
(E)-N-(3-chloro-2-methyl-4-pyridinyl)-3-(4-methylphenyl)prop-2-enamide
CID 75452187
(E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide
CID 59569556
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
(E)-N-(3-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 9414069
(E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide
CID 1124742
(E)-N-[(3-chloro-2-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 905189
ethyl 4-chloro-3-(3-phenylprop-2-enoylamino)benzoate
CID 838209

Frequently Asked Questions

What is the IUPAC name of (E)-N-(7-chloro-8-methylquinolin-4-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(7-chloro-8-methylquinolin-4-yl)-3-phenylprop-2-enamide (CID 43860173) is (E)-N-(7-chloro-8-methylquinolin-4-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(7-chloro-8-methylquinolin-4-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(7-chloro-8-methylquinolin-4-yl)-3-phenylprop-2-enamide is Cc1c(Cl)ccc2c(NC(=O)/C=C/c3ccccc3)ccnc12.
What is the InChIKey of (E)-N-(7-chloro-8-methylquinolin-4-yl)-3-phenylprop-2-enamide?
The InChIKey is OJYWPVMTXJULJM-JXMROGBWSA-N. The full InChI is InChI=1S/C19H15ClN2O/c1-13-16(20)9-8-15-17(11-12-21-19(13)15)22-18(23)10-7-14-5-3-2-4-6-14/h2-12H,1H3,(H,21,22,23)/b10-7+.
What are the key properties of (E)-N-(7-chloro-8-methylquinolin-4-yl)-3-phenylprop-2-enamide?
(E)-N-(7-chloro-8-methylquinolin-4-yl)-3-phenylprop-2-enamide has a molecular weight of 322.80 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(7-chloro-8-methylquinolin-4-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 43860173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).