(2R)-5-(3-fluorophenyl)-1-propyl-2-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3,4-dihydro-2H-quinoline

C25H25F4NO — CID 71085112

IUPAC(2R)-5-(3-fluorophenyl)-1-propyl-2-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3,4-dihydro-2H-quinoline
SMILESCCCN1c2cccc(-c3cccc(F)c3)c2CC[C@@H]1C1C=C(OC(F)(F)F)C=CC1
InChIInChI=1S/C25H25F4NO/c1-2-14-30-23(18-7-4-9-20(16-18)31-25(27,28)29)13-12-22-21(10-5-11-24(22)30)17-6-3-8-19(26)15-17/h3-6,8-11,15-16,18,23H,2,7,12-14H2,1H3/t18?,23-/m1/s1
InChIKeyQCEKQUQCXDWXPI-WBPHRXDCSA-N
MW431.47 g/mol
LogP7.02
Rot. Bonds5

About (2R)-5-(3-fluorophenyl)-1-propyl-2-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3,4-dihydro-2H-quinoline

(2R)-5-(3-fluorophenyl)-1-propyl-2-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3,4-dihydro-2H-quinoline (PubChem CID 71085112) has the molecular formula C25H25F4NO and a molecular weight of 431.47 g/mol. Its IUPAC name is (2R)-5-(3-fluorophenyl)-1-propyl-2-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(2R)-5-(3-fluorophenyl)-1-propyl-2-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3,4-dihydro-2H-quinoline
PubChem CID71085112
Molecular FormulaC25H25F4NO
Molecular Weight431.47 g/mol
Exact Mass431.19
IUPAC Name(2R)-5-(3-fluorophenyl)-1-propyl-2-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3,4-dihydro-2H-quinoline
SMILESCCCN1c2cccc(-c3cccc(F)c3)c2CC[C@@H]1C1C=C(OC(F)(F)F)C=CC1
InChIInChI=1S/C25H25F4NO/c1-2-14-30-23(18-7-4-9-20(16-18)31-25(27,28)29)13-12-22-21(10-5-11-24(22)30)17-6-3-8-19(26)15-17/h3-6,8-11,15-16,18,23H,2,7,12-14H2,1H3/t18?,23-/m1/s1
InChIKeyQCEKQUQCXDWXPI-WBPHRXDCSA-N
XLogP7.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.47
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-5-(3-fluorophenyl)-1-propyl-2-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3,4-dihydro-2H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[3-(1,1,2,2-tetrafluoroethoxy)cyclohexa-2,4-dien-1-yl]-5-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-quinoline
CID 89321225
(2R)-1,1,1-trifluoro-3-[(2R)-2-[3-(1,1,2,2-tetrafluoroethoxy)cyclohexa-2,4-dien-1-yl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
CID 89321291
(2R)-1-propyl-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline
CID 143710713
(2R)-1-propyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline
CID 143710700
(2S)-1,1,1-trifluoro-3-[(3S)-3-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-8-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazin-4-yl]propan-2-ol
CID 89319584
1,1,1-trifluoro-3-[(3S)-3-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-8-(3,4,5-trifluorophenyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-2-ol
CID 88901518
(2R)-2-[3-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]-5-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline
CID 71049618
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769
6-ethyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 166814660
(2S)-1-[(2S)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
CID 24775477
1,1,1-trifluoro-3-[5-[3-(trifluoromethoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
CID 24774927
1-[2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]-2-bromoethanone;ethane
CID 143710657

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(3-fluorophenyl)-1-propyl-2-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3,4-dihydro-2H-quinoline?
The IUPAC name of (2R)-5-(3-fluorophenyl)-1-propyl-2-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3,4-dihydro-2H-quinoline (CID 71085112) is (2R)-5-(3-fluorophenyl)-1-propyl-2-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (2R)-5-(3-fluorophenyl)-1-propyl-2-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for (2R)-5-(3-fluorophenyl)-1-propyl-2-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3,4-dihydro-2H-quinoline is CCCN1c2cccc(-c3cccc(F)c3)c2CC[C@@H]1C1C=C(OC(F)(F)F)C=CC1.
What is the InChIKey of (2R)-5-(3-fluorophenyl)-1-propyl-2-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3,4-dihydro-2H-quinoline?
The InChIKey is QCEKQUQCXDWXPI-WBPHRXDCSA-N. The full InChI is InChI=1S/C25H25F4NO/c1-2-14-30-23(18-7-4-9-20(16-18)31-25(27,28)29)13-12-22-21(10-5-11-24(22)30)17-6-3-8-19(26)15-17/h3-6,8-11,15-16,18,23H,2,7,12-14H2,1H3/t18?,23-/m1/s1.
What are the key properties of (2R)-5-(3-fluorophenyl)-1-propyl-2-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3,4-dihydro-2H-quinoline?
(2R)-5-(3-fluorophenyl)-1-propyl-2-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 431.47 g/mol, XLogP of 7.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(3-fluorophenyl)-1-propyl-2-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 71085112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).