(2R)-1-propyl-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline

C26H23F6NO2 — CID 143710713

IUPAC(2R)-1-propyl-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline
SMILESCCCN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C26H23F6NO2/c1-2-14-33-23(18-7-4-9-20(16-18)35-26(30,31)32)13-12-22-21(10-5-11-24(22)33)17-6-3-8-19(15-17)34-25(27,28)29/h3-11,15-16,23H,2,12-14H2,1H3/t23-/m1/s1
InChIKeyPDLFNZRZUMBPMK-HSZRJFAPSA-N
MW495.46 g/mol
LogP8.05
Rot. Bonds6

About (2R)-1-propyl-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline

(2R)-1-propyl-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline (PubChem CID 143710713) has the molecular formula C26H23F6NO2 and a molecular weight of 495.46 g/mol. Its IUPAC name is (2R)-1-propyl-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(2R)-1-propyl-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline
PubChem CID143710713
Molecular FormulaC26H23F6NO2
Molecular Weight495.46 g/mol
Exact Mass495.16
IUPAC Name(2R)-1-propyl-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline
SMILESCCCN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C26H23F6NO2/c1-2-14-33-23(18-7-4-9-20(16-18)35-26(30,31)32)13-12-22-21(10-5-11-24(22)33)17-6-3-8-19(15-17)34-25(27,28)29/h3-11,15-16,23H,2,12-14H2,1H3/t23-/m1/s1
InChIKeyPDLFNZRZUMBPMK-HSZRJFAPSA-N
XLogP8.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.46
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-propyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline
CID 143710700
(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
sulfane;(2S)-1,1,1-trifluoro-3-[(2R)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
CID 159457832
1-[2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]-2-bromoethanone;ethane
CID 143710657
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
1,1,1-trifluoro-3-[(2R)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
CID 154983267
1,1,1-trifluoro-3-[2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
CID 24774923
3-[2-[3-(difluoromethoxy)phenyl]-5-(3-propan-2-yloxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 71085097
(2R)-5-(3-fluorophenyl)-1-propyl-2-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3,4-dihydro-2H-quinoline
CID 71085112
4-(3-methoxypropyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-8-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine
CID 24767846
N-[2-[3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-8-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]methanesulfonamide
CID 24767850
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-propyl-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of (2R)-1-propyl-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline (CID 143710713) is (2R)-1-propyl-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (2R)-1-propyl-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for (2R)-1-propyl-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline is CCCN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (2R)-1-propyl-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline?
The InChIKey is PDLFNZRZUMBPMK-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H23F6NO2/c1-2-14-33-23(18-7-4-9-20(16-18)35-26(30,31)32)13-12-22-21(10-5-11-24(22)33)17-6-3-8-19(15-17)34-25(27,28)29/h3-11,15-16,23H,2,12-14H2,1H3/t23-/m1/s1.
What are the key properties of (2R)-1-propyl-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline?
(2R)-1-propyl-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline has a molecular weight of 495.46 g/mol, XLogP of 8.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-propyl-2,5-bis[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 143710713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).