2-cyclopentyl-3-[fluoro-(4-fluorophenyl)methyl]-7,7-dimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-5-ol

C27H29F2NOS — CID 21334057

IUPAC2-cyclopentyl-3-[fluoro-(4-fluorophenyl)methyl]-7,7-dimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-5-ol
SMILESCC1(C)Cc2nc(C3CCCC3)c(C(F)c3ccc(F)cc3)c(-c3ccsc3)c2C(O)C1
InChIInChI=1S/C27H29F2NOS/c1-27(2)13-20-23(21(31)14-27)22(18-11-12-32-15-18)24(26(30-20)17-5-3-4-6-17)25(29)16-7-9-19(28)10-8-16/h7-12,15,17,21,25,31H,3-6,13-14H2,1-2H3
InChIKeyYUTOBNLNBNTBIX-UHFFFAOYSA-N
MW453.60 g/mol
LogP7.67
Rot. Bonds4

About 2-cyclopentyl-3-[fluoro-(4-fluorophenyl)methyl]-7,7-dimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-5-ol

2-cyclopentyl-3-[fluoro-(4-fluorophenyl)methyl]-7,7-dimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-5-ol (PubChem CID 21334057) has the molecular formula C27H29F2NOS and a molecular weight of 453.60 g/mol. Its IUPAC name is 2-cyclopentyl-3-[fluoro-(4-fluorophenyl)methyl]-7,7-dimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-5-ol.

Molecular Properties

Compound Name2-cyclopentyl-3-[fluoro-(4-fluorophenyl)methyl]-7,7-dimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-5-ol
PubChem CID21334057
Molecular FormulaC27H29F2NOS
Molecular Weight453.60 g/mol
Exact Mass453.19
IUPAC Name2-cyclopentyl-3-[fluoro-(4-fluorophenyl)methyl]-7,7-dimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-5-ol
SMILESCC1(C)Cc2nc(C3CCCC3)c(C(F)c3ccc(F)cc3)c(-c3ccsc3)c2C(O)C1
InChIInChI=1S/C27H29F2NOS/c1-27(2)13-20-23(21(31)14-27)22(18-11-12-32-15-18)24(26(30-20)17-5-3-4-6-17)25(29)16-7-9-19(28)10-8-16/h7-12,15,17,21,25,31H,3-6,13-14H2,1-2H3
InChIKeyYUTOBNLNBNTBIX-UHFFFAOYSA-N
XLogP7.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.60
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-3-[fluoro-(4-fluorophenyl)methyl]-7,7-dimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-5-ol with MolForge

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Related Compounds

(5S)-2-cyclopentyl-3-[fluoro-(4-fluorophenyl)methyl]-5,7,7-trimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinoline
CID 59890498
(5S)-2-cyclopentyl-4-(4-fluorophenyl)-3-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol
CID 163490270
2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane]-5-ol
CID 54156301
2-cyclopentyl-3-[fluoro-(4-methylsulfonylphenyl)methyl]-4-(4-fluorophenyl)spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol
CID 20586661
2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol
CID 54315414
2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro(pyrimidin-5-yl)methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol
CID 20586686
[2-cyclopentyl-4-(4-fluorophenyl)-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone
CID 54490878
[2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy-(2,2-dimethylpropyl)-dimethylsilane
CID 151760406
(5S)-4-cyclohexyl-2-cyclopentyl-3-[(S)-[4-(1,1-difluoroethyl)phenyl]-fluoromethyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol
CID 122498147
2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-5-ol
CID 15391917
2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol
CID 15391919
2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-(methoxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol
CID 59950692

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-[fluoro-(4-fluorophenyl)methyl]-7,7-dimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-5-ol?
The IUPAC name of 2-cyclopentyl-3-[fluoro-(4-fluorophenyl)methyl]-7,7-dimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-5-ol (CID 21334057) is 2-cyclopentyl-3-[fluoro-(4-fluorophenyl)methyl]-7,7-dimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-5-ol.
What is the SMILES notation for 2-cyclopentyl-3-[fluoro-(4-fluorophenyl)methyl]-7,7-dimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-5-ol?
The canonical SMILES for 2-cyclopentyl-3-[fluoro-(4-fluorophenyl)methyl]-7,7-dimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-5-ol is CC1(C)Cc2nc(C3CCCC3)c(C(F)c3ccc(F)cc3)c(-c3ccsc3)c2C(O)C1.
What is the InChIKey of 2-cyclopentyl-3-[fluoro-(4-fluorophenyl)methyl]-7,7-dimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-5-ol?
The InChIKey is YUTOBNLNBNTBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2NOS/c1-27(2)13-20-23(21(31)14-27)22(18-11-12-32-15-18)24(26(30-20)17-5-3-4-6-17)25(29)16-7-9-19(28)10-8-16/h7-12,15,17,21,25,31H,3-6,13-14H2,1-2H3.
What are the key properties of 2-cyclopentyl-3-[fluoro-(4-fluorophenyl)methyl]-7,7-dimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-5-ol?
2-cyclopentyl-3-[fluoro-(4-fluorophenyl)methyl]-7,7-dimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-5-ol has a molecular weight of 453.60 g/mol, XLogP of 7.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-[fluoro-(4-fluorophenyl)methyl]-7,7-dimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-5-ol is sourced from PubChem (CID 21334057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).