6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one

C24H16ClFN2O3 — CID 134253204

IUPAC6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one
SMILESCOc1ccc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C24H16ClFN2O3/c1-31-18-6-3-15(4-7-18)22-19-11-16(25)5-8-20(19)28-24(30)23(22)21(29)9-2-14-10-17(26)13-27-12-14/h2-13H,1H3,(H,28,30)/b9-2+
InChIKeyMHBLIOANKXNMDY-XNWCZRBMSA-N
MW434.85 g/mol
LogP5.29
Rot. Bonds5

About 6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one

6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one (PubChem CID 134253204) has the molecular formula C24H16ClFN2O3 and a molecular weight of 434.85 g/mol. Its IUPAC name is 6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one
PubChem CID134253204
Molecular FormulaC24H16ClFN2O3
Molecular Weight434.85 g/mol
Exact Mass434.08
IUPAC Name6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one
SMILESCOc1ccc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C24H16ClFN2O3/c1-31-18-6-3-15(4-7-18)22-19-11-16(25)5-8-20(19)28-24(30)23(22)21(29)9-2-14-10-17(26)13-27-12-14/h2-13H,1H3,(H,28,30)/b9-2+
InChIKeyMHBLIOANKXNMDY-XNWCZRBMSA-N
XLogP5.29
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.85
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridyl]-1H-quinolin-4-one
CID 67617354
5-chloro-2-[(4-methoxybenzoyl)amino]-N-(4-pyridinyl)benzamide
CID 991453
6-chloro-7-fluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridyl]-1H-quinolin-4-one
CID 70692118
6-chloro-2-methyl-3-[6-[4-(trifluoromethoxy)phenoxy]-3-pyridyl]-1H-quinolin-4-one
CID 90676103
(10R,14S)-14-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-5-methoxy-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-9-one
CID 73050941
(5R)-3-(6-chloroquinolin-4-yl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 44144092
1-(4-Chlorophenyl)-3-[(7-methoxy-2-oxo-1H-quinolin-3-YL)methyl]-3-(pyridin-3-ylmethyl)urea
CID 1430848
(Z)-3-(2-chloro-4-pyridinyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
CID 76319815
N-(3-chloro-4-fluorophenyl)-5-(4-methoxyphenyl)-6-(3-methylphenyl)pyridine-3-carboxamide
CID 172438013
N-[4-(5-chloro-2-methoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 11175731
N-[4-[5-chloro-2-(difluoromethoxy)phenyl]phenyl]-3-fluoropyridine-4-carboxamide
CID 11257872
4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-methoxyphenyl)benzamide
CID 11337240

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one (CID 134253204) is 6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one is COc1ccc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of 6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one?
The InChIKey is MHBLIOANKXNMDY-XNWCZRBMSA-N. The full InChI is InChI=1S/C24H16ClFN2O3/c1-31-18-6-3-15(4-7-18)22-19-11-16(25)5-8-20(19)28-24(30)23(22)21(29)9-2-14-10-17(26)13-27-12-14/h2-13H,1H3,(H,28,30)/b9-2+.
What are the key properties of 6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one?
6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one has a molecular weight of 434.85 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one is sourced from PubChem (CID 134253204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).