(4S)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one

C19H16F3NO — CID 707562

IUPAC(4S)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
SMILESO=C1C[C@@H](c2ccccc2C(F)(F)F)c2cc3c(cc2N1)CCC3
InChIInChI=1S/C19H16F3NO/c20-19(21,22)16-7-2-1-6-13(16)14-10-18(24)23-17-9-12-5-3-4-11(12)8-15(14)17/h1-2,6-9,14H,3-5,10H2,(H,23,24)/t14-/m0/s1
InChIKeyGFHPLRXJCHBZRY-AWEZNQCLSA-N
MW331.34 g/mol
LogP4.67
Rot. Bonds1

About (4S)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one

(4S)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one (PubChem CID 707562) has the molecular formula C19H16F3NO and a molecular weight of 331.34 g/mol. Its IUPAC name is (4S)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one.

Molecular Properties

Compound Name(4S)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
PubChem CID707562
Molecular FormulaC19H16F3NO
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name(4S)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
SMILESO=C1C[C@@H](c2ccccc2C(F)(F)F)c2cc3c(cc2N1)CCC3
InChIInChI=1S/C19H16F3NO/c20-19(21,22)16-7-2-1-6-13(16)14-10-18(24)23-17-9-12-5-3-4-11(12)8-15(14)17/h1-2,6-9,14H,3-5,10H2,(H,23,24)/t14-/m0/s1
InChIKeyGFHPLRXJCHBZRY-AWEZNQCLSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4S)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one with MolForge

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Related Compounds

(4R)-4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 973947
(4S)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 707503
7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763630
4-(4-aminophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 66827792
(4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 973945
4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 3527771
(4S)-7,7-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 7248804
ethyl (4S)-6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate
CID 1488610
ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate
CID 3754011
(2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one
CID 94603909
7-(4-fluorophenyl)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17060583
4-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dihydro-1H-quinolin-2-one
CID 15366447

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
The IUPAC name of (4S)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one (CID 707562) is (4S)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one.
What is the SMILES notation for (4S)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
The canonical SMILES for (4S)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one is O=C1C[C@@H](c2ccccc2C(F)(F)F)c2cc3c(cc2N1)CCC3.
What is the InChIKey of (4S)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
The InChIKey is GFHPLRXJCHBZRY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H16F3NO/c20-19(21,22)16-7-2-1-6-13(16)14-10-18(24)23-17-9-12-5-3-4-11(12)8-15(14)17/h1-2,6-9,14H,3-5,10H2,(H,23,24)/t14-/m0/s1.
What are the key properties of (4S)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
(4S)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one has a molecular weight of 331.34 g/mol, XLogP of 4.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one is sourced from PubChem (CID 707562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).