2-methyl-4-phenyl-5-(trifluoromethyl)quinolin-3-ol

C17H12F3NO — CID 122604521

IUPAC2-methyl-4-phenyl-5-(trifluoromethyl)quinolin-3-ol
SMILESCc1nc2cccc(C(F)(F)F)c2c(-c2ccccc2)c1O
InChIInChI=1S/C17H12F3NO/c1-10-16(22)14(11-6-3-2-4-7-11)15-12(17(18,19)20)8-5-9-13(15)21-10/h2-9,22H,1H3
InChIKeyOBGVWKRIOGTKEE-UHFFFAOYSA-N
MW303.28 g/mol
LogP4.93
Rot. Bonds1

About 2-methyl-4-phenyl-5-(trifluoromethyl)quinolin-3-ol

2-methyl-4-phenyl-5-(trifluoromethyl)quinolin-3-ol (PubChem CID 122604521) has the molecular formula C17H12F3NO and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-methyl-4-phenyl-5-(trifluoromethyl)quinolin-3-ol.

Molecular Properties

Compound Name2-methyl-4-phenyl-5-(trifluoromethyl)quinolin-3-ol
PubChem CID122604521
Molecular FormulaC17H12F3NO
Molecular Weight303.28 g/mol
Exact Mass303.09
IUPAC Name2-methyl-4-phenyl-5-(trifluoromethyl)quinolin-3-ol
SMILESCc1nc2cccc(C(F)(F)F)c2c(-c2ccccc2)c1O
InChIInChI=1S/C17H12F3NO/c1-10-16(22)14(11-6-3-2-4-7-11)15-12(17(18,19)20)8-5-9-13(15)21-10/h2-9,22H,1H3
InChIKeyOBGVWKRIOGTKEE-UHFFFAOYSA-N
XLogP4.93
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 594394
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CID 6439168
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CID 5833956
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CID 273212
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CID 135408526
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CID 31631
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CID 81403
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CID 10867614
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CID 87462
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-5-(trifluoromethyl)quinolin-3-ol?
The IUPAC name of 2-methyl-4-phenyl-5-(trifluoromethyl)quinolin-3-ol (CID 122604521) is 2-methyl-4-phenyl-5-(trifluoromethyl)quinolin-3-ol.
What is the SMILES notation for 2-methyl-4-phenyl-5-(trifluoromethyl)quinolin-3-ol?
The canonical SMILES for 2-methyl-4-phenyl-5-(trifluoromethyl)quinolin-3-ol is Cc1nc2cccc(C(F)(F)F)c2c(-c2ccccc2)c1O.
What is the InChIKey of 2-methyl-4-phenyl-5-(trifluoromethyl)quinolin-3-ol?
The InChIKey is OBGVWKRIOGTKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO/c1-10-16(22)14(11-6-3-2-4-7-11)15-12(17(18,19)20)8-5-9-13(15)21-10/h2-9,22H,1H3.
What are the key properties of 2-methyl-4-phenyl-5-(trifluoromethyl)quinolin-3-ol?
2-methyl-4-phenyl-5-(trifluoromethyl)quinolin-3-ol has a molecular weight of 303.28 g/mol, XLogP of 4.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-5-(trifluoromethyl)quinolin-3-ol is sourced from PubChem (CID 122604521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).