3-[2-[3-(difluoromethoxy)phenyl]-5-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-1,1,1-trifluoropropan-2-ol

C24H21F5N2O2 — CID 71085266

IUPAC3-[2-[3-(difluoromethoxy)phenyl]-5-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1c2cccc(-c3cccnc3)c2CCC1c1cccc(OC(F)F)c1)C(F)(F)F
InChIInChI=1S/C24H21F5N2O2/c25-23(26)33-17-6-1-4-15(12-17)20-10-9-19-18(16-5-3-11-30-13-16)7-2-8-21(19)31(20)14-22(32)24(27,28)29/h1-8,11-13,20,22-23,32H,9-10,14H2
InChIKeyOICSTDUQGSAENN-UHFFFAOYSA-N
MW464.43 g/mol
LogP5.77
Rot. Bonds6

About 3-[2-[3-(difluoromethoxy)phenyl]-5-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-1,1,1-trifluoropropan-2-ol

3-[2-[3-(difluoromethoxy)phenyl]-5-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 71085266) has the molecular formula C24H21F5N2O2 and a molecular weight of 464.43 g/mol. Its IUPAC name is 3-[2-[3-(difluoromethoxy)phenyl]-5-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[2-[3-(difluoromethoxy)phenyl]-5-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID71085266
Molecular FormulaC24H21F5N2O2
Molecular Weight464.43 g/mol
Exact Mass464.15
IUPAC Name3-[2-[3-(difluoromethoxy)phenyl]-5-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1c2cccc(-c3cccnc3)c2CCC1c1cccc(OC(F)F)c1)C(F)(F)F
InChIInChI=1S/C24H21F5N2O2/c25-23(26)33-17-6-1-4-15(12-17)20-10-9-19-18(16-5-3-11-30-13-16)7-2-8-21(19)31(20)14-22(32)24(27,28)29/h1-8,11-13,20,22-23,32H,9-10,14H2
InChIKeyOICSTDUQGSAENN-UHFFFAOYSA-N
XLogP5.77
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.43
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(difluoromethoxy)phenyl]-5-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[2-[3-(difluoromethoxy)phenyl]-5-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-1,1,1-trifluoropropan-2-ol (CID 71085266) is 3-[2-[3-(difluoromethoxy)phenyl]-5-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[2-[3-(difluoromethoxy)phenyl]-5-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[2-[3-(difluoromethoxy)phenyl]-5-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-1,1,1-trifluoropropan-2-ol is OC(CN1c2cccc(-c3cccnc3)c2CCC1c1cccc(OC(F)F)c1)C(F)(F)F.
What is the InChIKey of 3-[2-[3-(difluoromethoxy)phenyl]-5-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is OICSTDUQGSAENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F5N2O2/c25-23(26)33-17-6-1-4-15(12-17)20-10-9-19-18(16-5-3-11-30-13-16)7-2-8-21(19)31(20)14-22(32)24(27,28)29/h1-8,11-13,20,22-23,32H,9-10,14H2.
What are the key properties of 3-[2-[3-(difluoromethoxy)phenyl]-5-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-1,1,1-trifluoropropan-2-ol?
3-[2-[3-(difluoromethoxy)phenyl]-5-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 464.43 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(difluoromethoxy)phenyl]-5-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 71085266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).