[2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]quinolin-3-yl]methanol

C20H18F3NO — CID 15125318

IUPAC[2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]quinolin-3-yl]methanol
SMILESCC(C)c1nc2ccccc2c(-c2ccc(C(F)(F)F)cc2)c1CO
InChIInChI=1S/C20H18F3NO/c1-12(2)19-16(11-25)18(15-5-3-4-6-17(15)24-19)13-7-9-14(10-8-13)20(21,22)23/h3-10,12,25H,11H2,1-2H3
InChIKeyXSWLORVSTSGTDO-UHFFFAOYSA-N
MW345.36 g/mol
LogP5.54
Rot. Bonds3

About [2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]quinolin-3-yl]methanol

[2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]quinolin-3-yl]methanol (PubChem CID 15125318) has the molecular formula C20H18F3NO and a molecular weight of 345.36 g/mol. Its IUPAC name is [2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]quinolin-3-yl]methanol
PubChem CID15125318
Molecular FormulaC20H18F3NO
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name[2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]quinolin-3-yl]methanol
SMILESCC(C)c1nc2ccccc2c(-c2ccc(C(F)(F)F)cc2)c1CO
InChIInChI=1S/C20H18F3NO/c1-12(2)19-16(11-25)18(15-5-3-4-6-17(15)24-19)13-7-9-14(10-8-13)20(21,22)23/h3-10,12,25H,11H2,1-2H3
InChIKeyXSWLORVSTSGTDO-UHFFFAOYSA-N
XLogP5.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.36
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]quinolin-3-yl]methanol?
The IUPAC name of [2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]quinolin-3-yl]methanol (CID 15125318) is [2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]quinolin-3-yl]methanol.
What is the SMILES notation for [2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]quinolin-3-yl]methanol?
The canonical SMILES for [2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]quinolin-3-yl]methanol is CC(C)c1nc2ccccc2c(-c2ccc(C(F)(F)F)cc2)c1CO.
What is the InChIKey of [2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]quinolin-3-yl]methanol?
The InChIKey is XSWLORVSTSGTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO/c1-12(2)19-16(11-25)18(15-5-3-4-6-17(15)24-19)13-7-9-14(10-8-13)20(21,22)23/h3-10,12,25H,11H2,1-2H3.
What are the key properties of [2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]quinolin-3-yl]methanol?
[2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]quinolin-3-yl]methanol has a molecular weight of 345.36 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]quinolin-3-yl]methanol is sourced from PubChem (CID 15125318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).