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

C29H29F2NO2 — CID 54490878

IUPAC[2-cyclopentyl-4-(4-fluorophenyl)-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone
SMILESCC1(C)Cc2nc(C3CCCC3)c(C(=O)c3ccc(F)cc3)c(-c3ccc(F)cc3)c2C(O)C1
InChIInChI=1S/C29H29F2NO2/c1-29(2)15-22-25(23(33)16-29)24(17-7-11-20(30)12-8-17)26(27(32-22)18-5-3-4-6-18)28(34)19-9-13-21(31)14-10-19/h7-14,18,23,33H,3-6,15-16H2,1-2H3
InChIKeyXVPXIUCRYWVDRE-UHFFFAOYSA-N
MW461.55 g/mol
LogP6.92
Rot. Bonds4

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

[2-cyclopentyl-4-(4-fluorophenyl)-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone (PubChem CID 54490878) has the molecular formula C29H29F2NO2 and a molecular weight of 461.55 g/mol. Its IUPAC name is [2-cyclopentyl-4-(4-fluorophenyl)-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-cyclopentyl-4-(4-fluorophenyl)-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone
PubChem CID54490878
Molecular FormulaC29H29F2NO2
Molecular Weight461.55 g/mol
Exact Mass461.22
IUPAC Name[2-cyclopentyl-4-(4-fluorophenyl)-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone
SMILESCC1(C)Cc2nc(C3CCCC3)c(C(=O)c3ccc(F)cc3)c(-c3ccc(F)cc3)c2C(O)C1
InChIInChI=1S/C29H29F2NO2/c1-29(2)15-22-25(23(33)16-29)24(17-7-11-20(30)12-8-17)26(27(32-22)18-5-3-4-6-18)28(34)19-9-13-21(31)14-10-19/h7-14,18,23,33H,3-6,15-16H2,1-2H3
InChIKeyXVPXIUCRYWVDRE-UHFFFAOYSA-N
XLogP6.92
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.55
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(5S)-4-cyclohexyl-2-cyclopentyl-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46880281
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)-5-hydroxy-7-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 54500715
(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-3-[fluoro-(4-fluorophenyl)methyl]-7,7-dimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-5-ol
CID 21334057
[(5S)-4-(4-fluorophenyl)-5-hydroxy-2-(1-methoxyethyl)-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 58119704
2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-3-(methylperoxymethyl)-6,8-dihydroquinolin-5-one
CID 20687136
methyl (8S)-3-cyclopentyl-1-(4-fluorophenyl)-8-hydroxy-6,6-dimethyl-7,8-dihydro-5H-naphthalene-2-carboxylate
CID 59075920
[5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol
CID 22481032
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-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-ol
CID 54117342
(5S)-2-cyclopentyl-3-[fluoro-(4-fluorophenyl)methyl]-5,7,7-trimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinoline
CID 59890498

Frequently Asked Questions

What is the IUPAC name of [2-cyclopentyl-4-(4-fluorophenyl)-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-cyclopentyl-4-(4-fluorophenyl)-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone (CID 54490878) is [2-cyclopentyl-4-(4-fluorophenyl)-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-cyclopentyl-4-(4-fluorophenyl)-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-cyclopentyl-4-(4-fluorophenyl)-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone is CC1(C)Cc2nc(C3CCCC3)c(C(=O)c3ccc(F)cc3)c(-c3ccc(F)cc3)c2C(O)C1.
What is the InChIKey of [2-cyclopentyl-4-(4-fluorophenyl)-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone?
The InChIKey is XVPXIUCRYWVDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2NO2/c1-29(2)15-22-25(23(33)16-29)24(17-7-11-20(30)12-8-17)26(27(32-22)18-5-3-4-6-18)28(34)19-9-13-21(31)14-10-19/h7-14,18,23,33H,3-6,15-16H2,1-2H3.
What are the key properties of [2-cyclopentyl-4-(4-fluorophenyl)-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone?
[2-cyclopentyl-4-(4-fluorophenyl)-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone has a molecular weight of 461.55 g/mol, XLogP of 6.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopentyl-4-(4-fluorophenyl)-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 54490878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).