[(5S)-2-cyclopentyl-5,7,7-trimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone

C28H30FNOS — CID 59890497

IUPAC[(5S)-2-cyclopentyl-5,7,7-trimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone
SMILESC[C@H]1CC(C)(C)Cc2nc(C3CCCC3)c(C(=O)c3ccc(F)cc3)c(-c3ccsc3)c21
InChIInChI=1S/C28H30FNOS/c1-17-14-28(2,3)15-22-23(17)24(20-12-13-32-16-20)25(26(30-22)18-6-4-5-7-18)27(31)19-8-10-21(29)11-9-19/h8-13,16-18H,4-7,14-15H2,1-3H3/t17-/m0/s1
InChIKeyWRNFBNPZQKUXTO-KRWDZBQOSA-N
MW447.62 g/mol
LogP7.91
Rot. Bonds4

About [(5S)-2-cyclopentyl-5,7,7-trimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone

[(5S)-2-cyclopentyl-5,7,7-trimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone (PubChem CID 59890497) has the molecular formula C28H30FNOS and a molecular weight of 447.62 g/mol. Its IUPAC name is [(5S)-2-cyclopentyl-5,7,7-trimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[(5S)-2-cyclopentyl-5,7,7-trimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone
PubChem CID59890497
Molecular FormulaC28H30FNOS
Molecular Weight447.62 g/mol
Exact Mass447.20
IUPAC Name[(5S)-2-cyclopentyl-5,7,7-trimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone
SMILESC[C@H]1CC(C)(C)Cc2nc(C3CCCC3)c(C(=O)c3ccc(F)cc3)c(-c3ccsc3)c21
InChIInChI=1S/C28H30FNOS/c1-17-14-28(2,3)15-22-23(17)24(20-12-13-32-16-20)25(26(30-22)18-6-4-5-7-18)27(31)19-8-10-21(29)11-9-19/h8-13,16-18H,4-7,14-15H2,1-3H3/t17-/m0/s1
InChIKeyWRNFBNPZQKUXTO-KRWDZBQOSA-N
XLogP7.91
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(5S)-2-cyclopentyl-5,7,7-trimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone with MolForge

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Related Compounds

2-(Thiophen-2-yl)-7,8-dihydroquinolin-5(6H)-one
CID 12519802
2-[2-(3,4-Difluorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 2746701
7,7-Dimethyl-2-(2-thienyl)-6,8-dihydroquinolin-5-one
CID 53324821
7H-Indeno(2,1-c)quinolin-7-one, 6-(2-thienyl)-
CID 3080463
6-thiophen-3-yl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
CID 53376163
6,6-Dimethyl-2-(2-thienyl)-7,8-dihydroquinolin-5-one
CID 53375549
7-Tert-butyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3819288
[4-Phenyl-2-(trifluoromethyl)quinolin-3-yl]-thiophen-2-ylmethanone
CID 16655274
2-Dibenzothiophen-2-yl-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 53375520
[3-Amino-7-tert-butyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl](4-fluorophenyl)methanone
CID 5258850
2-Cyclopentyl-7,7-dimethyl-4-thiophen-3-yl-3-[4-(trifluoromethyl)benzoyl]-6,8-dihydroquinolin-5-one
CID 9870479
2-Cyclopentyl-3-(4-fluorobenzoyl)-7,7-dimethyl-4-thiophen-3-yl-6,8-dihydroquinolin-5-one
CID 21334054

Frequently Asked Questions

What is the IUPAC name of [(5S)-2-cyclopentyl-5,7,7-trimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [(5S)-2-cyclopentyl-5,7,7-trimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone (CID 59890497) is [(5S)-2-cyclopentyl-5,7,7-trimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [(5S)-2-cyclopentyl-5,7,7-trimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [(5S)-2-cyclopentyl-5,7,7-trimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone is C[C@H]1CC(C)(C)Cc2nc(C3CCCC3)c(C(=O)c3ccc(F)cc3)c(-c3ccsc3)c21.
What is the InChIKey of [(5S)-2-cyclopentyl-5,7,7-trimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone?
The InChIKey is WRNFBNPZQKUXTO-KRWDZBQOSA-N. The full InChI is InChI=1S/C28H30FNOS/c1-17-14-28(2,3)15-22-23(17)24(20-12-13-32-16-20)25(26(30-22)18-6-4-5-7-18)27(31)19-8-10-21(29)11-9-19/h8-13,16-18H,4-7,14-15H2,1-3H3/t17-/m0/s1.
What are the key properties of [(5S)-2-cyclopentyl-5,7,7-trimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone?
[(5S)-2-cyclopentyl-5,7,7-trimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone has a molecular weight of 447.62 g/mol, XLogP of 7.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-cyclopentyl-5,7,7-trimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 59890497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).