2-methyl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol;hydrochloride

C17H14ClF3N2O — CID 44532261

IUPAC2-methyl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol;hydrochloride
SMILESCc1c(O)cccc1Nc1ccnc2ccc(C(F)(F)F)cc12.Cl
InChIInChI=1S/C17H13F3N2O.ClH/c1-10-13(3-2-4-16(10)23)22-15-7-8-21-14-6-5-11(9-12(14)15)17(18,19)20;/h2-9,23H,1H3,(H,21,22);1H
InChIKeyFVMOARCVUROSPL-UHFFFAOYSA-N
MW354.76 g/mol
LogP5.43
Rot. Bonds2

About 2-methyl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol;hydrochloride

2-methyl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol;hydrochloride (PubChem CID 44532261) has the molecular formula C17H14ClF3N2O and a molecular weight of 354.76 g/mol. Its IUPAC name is 2-methyl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol;hydrochloride
PubChem CID44532261
Molecular FormulaC17H14ClF3N2O
Molecular Weight354.76 g/mol
Exact Mass354.07
IUPAC Name2-methyl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol;hydrochloride
SMILESCc1c(O)cccc1Nc1ccnc2ccc(C(F)(F)F)cc12.Cl
InChIInChI=1S/C17H13F3N2O.ClH/c1-10-13(3-2-4-16(10)23)22-15-7-8-21-14-6-5-11(9-12(14)15)17(18,19)20;/h2-9,23H,1H3,(H,21,22);1H
InChIKeyFVMOARCVUROSPL-UHFFFAOYSA-N
XLogP5.43
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.76
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol;hydrochloride?
The IUPAC name of 2-methyl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol;hydrochloride (CID 44532261) is 2-methyl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol;hydrochloride.
What is the SMILES notation for 2-methyl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol;hydrochloride?
The canonical SMILES for 2-methyl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol;hydrochloride is Cc1c(O)cccc1Nc1ccnc2ccc(C(F)(F)F)cc12.Cl.
What is the InChIKey of 2-methyl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol;hydrochloride?
The InChIKey is FVMOARCVUROSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O.ClH/c1-10-13(3-2-4-16(10)23)22-15-7-8-21-14-6-5-11(9-12(14)15)17(18,19)20;/h2-9,23H,1H3,(H,21,22);1H.
What are the key properties of 2-methyl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol;hydrochloride?
2-methyl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol;hydrochloride has a molecular weight of 354.76 g/mol, XLogP of 5.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol;hydrochloride is sourced from PubChem (CID 44532261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).