6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-4-[4-(trifluoromethoxy)phenyl]-1H-quinolin-2-one

C24H14ClF3N2O3 — CID 134247895

IUPAC6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-4-[4-(trifluoromethoxy)phenyl]-1H-quinolin-2-one
SMILESO=C(/C=C/c1ccccn1)c1c(-c2ccc(OC(F)(F)F)cc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C24H14ClF3N2O3/c25-15-6-10-19-18(13-15)21(14-4-8-17(9-5-14)33-24(26,27)28)22(23(32)30-19)20(31)11-7-16-3-1-2-12-29-16/h1-13H,(H,30,32)/b11-7+
InChIKeyFDUCGNIXRJJHRK-YRNVUSSQSA-N
MW470.83 g/mol
LogP6.04
Rot. Bonds5

About 6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-4-[4-(trifluoromethoxy)phenyl]-1H-quinolin-2-one

6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-4-[4-(trifluoromethoxy)phenyl]-1H-quinolin-2-one (PubChem CID 134247895) has the molecular formula C24H14ClF3N2O3 and a molecular weight of 470.83 g/mol. Its IUPAC name is 6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-4-[4-(trifluoromethoxy)phenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-4-[4-(trifluoromethoxy)phenyl]-1H-quinolin-2-one
PubChem CID134247895
Molecular FormulaC24H14ClF3N2O3
Molecular Weight470.83 g/mol
Exact Mass470.06
IUPAC Name6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-4-[4-(trifluoromethoxy)phenyl]-1H-quinolin-2-one
SMILESO=C(/C=C/c1ccccn1)c1c(-c2ccc(OC(F)(F)F)cc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C24H14ClF3N2O3/c25-15-6-10-19-18(13-15)21(14-4-8-17(9-5-14)33-24(26,27)28)22(23(32)30-19)20(31)11-7-16-3-1-2-12-29-16/h1-13H,(H,30,32)/b11-7+
InChIKeyFDUCGNIXRJJHRK-YRNVUSSQSA-N
XLogP6.04
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.83
LogP ≤ 56.04
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-pyridin-2-ylprop-2-enoyl]-4-[4-(trifluoromethoxy)phenyl]-1H-quinolin-2-one with MolForge

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Related Compounds

2-Methyl-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-6-chloro-7-methoxy-4(1H)-quinolinone
CID 101882805
3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridyl]-1H-quinolin-4-one
CID 56965339
7-chloro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridyl]-1H-quinolin-4-one
CID 67616169
6-chloro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridyl]-1H-quinolin-4-one
CID 67617354
7-chloro-6-fluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridyl]-1H-quinolin-4-one
CID 70683670
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
3-methyl-2-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]-1H-quinolin-4-one
CID 127038430
(Z)-3-(2-chloro-4-pyridinyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
CID 76319815
3-methyl-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-1H-quinolin-4-one
CID 127038431

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-4-[4-(trifluoromethoxy)phenyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-4-[4-(trifluoromethoxy)phenyl]-1H-quinolin-2-one (CID 134247895) is 6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-4-[4-(trifluoromethoxy)phenyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-4-[4-(trifluoromethoxy)phenyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-4-[4-(trifluoromethoxy)phenyl]-1H-quinolin-2-one is O=C(/C=C/c1ccccn1)c1c(-c2ccc(OC(F)(F)F)cc2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-4-[4-(trifluoromethoxy)phenyl]-1H-quinolin-2-one?
The InChIKey is FDUCGNIXRJJHRK-YRNVUSSQSA-N. The full InChI is InChI=1S/C24H14ClF3N2O3/c25-15-6-10-19-18(13-15)21(14-4-8-17(9-5-14)33-24(26,27)28)22(23(32)30-19)20(31)11-7-16-3-1-2-12-29-16/h1-13H,(H,30,32)/b11-7+.
What are the key properties of 6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-4-[4-(trifluoromethoxy)phenyl]-1H-quinolin-2-one?
6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-4-[4-(trifluoromethoxy)phenyl]-1H-quinolin-2-one has a molecular weight of 470.83 g/mol, XLogP of 6.04, 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-pyridin-2-ylprop-2-enoyl]-4-[4-(trifluoromethoxy)phenyl]-1H-quinolin-2-one is sourced from PubChem (CID 134247895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).