(E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide

C18H13ClN2O — CID 952560

IUPAC(E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cccc2ncccc12
InChIInChI=1S/C18H13ClN2O/c19-14-9-6-13(7-10-14)8-11-18(22)21-17-5-1-4-16-15(17)3-2-12-20-16/h1-12H,(H,21,22)/b11-8+
InChIKeyVHLPRHKMOFXROL-DHZHZOJOSA-N
MW308.77 g/mol
LogP4.54
Rot. Bonds3

About (E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide

(E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide (PubChem CID 952560) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide
PubChem CID952560
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name(E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cccc2ncccc12
InChIInChI=1S/C18H13ClN2O/c19-14-9-6-13(7-10-14)8-11-18(22)21-17-5-1-4-16-15(17)3-2-12-20-16/h1-12H,(H,21,22)/b11-8+
InChIKeyVHLPRHKMOFXROL-DHZHZOJOSA-N
XLogP4.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.54
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-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-quinolin-5-ylprop-2-enamide
CID 26888396
(E)-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide
CID 874993
(2E)-2-hydroxyimino-N-quinolin-5-ylacetamide
CID 17388517
2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide
CID 952570
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
(E)-N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 6183154
N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 4676638
3-chloro-N-quinolin-5-ylbenzamide
CID 5127132
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide
CID 26888649
2-chloro-N-quinolin-5-ylacetamide;hydrochloride
CID 155943918
(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide
CID 952598

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide (CID 952560) is (E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc2ncccc12.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide?
The InChIKey is VHLPRHKMOFXROL-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-14-9-6-13(7-10-14)8-11-18(22)21-17-5-1-4-16-15(17)3-2-12-20-16/h1-12H,(H,21,22)/b11-8+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide?
(E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide has a molecular weight of 308.77 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide is sourced from PubChem (CID 952560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).