1-[(3,4-difluorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride

C19H20ClF2NO — CID 53317420

IUPAC1-[(3,4-difluorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride
SMILESCC1=CC(C)(C)N(Cc2ccc(F)c(F)c2)c2ccc(O)cc21.Cl
InChIInChI=1S/C19H19F2NO.ClH/c1-12-10-19(2,3)22(18-7-5-14(23)9-15(12)18)11-13-4-6-16(20)17(21)8-13;/h4-10,23H,11H2,1-3H3;1H
InChIKeyVUKCESSSHOAWDP-UHFFFAOYSA-N
MW351.82 g/mol
LogP5.29
Rot. Bonds2

About 1-[(3,4-difluorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride

1-[(3,4-difluorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride (PubChem CID 53317420) has the molecular formula C19H20ClF2NO and a molecular weight of 351.82 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride
PubChem CID53317420
Molecular FormulaC19H20ClF2NO
Molecular Weight351.82 g/mol
Exact Mass351.12
IUPAC Name1-[(3,4-difluorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride
SMILESCC1=CC(C)(C)N(Cc2ccc(F)c(F)c2)c2ccc(O)cc21.Cl
InChIInChI=1S/C19H19F2NO.ClH/c1-12-10-19(2,3)22(18-7-5-14(23)9-15(12)18)11-13-4-6-16(20)17(21)8-13;/h4-10,23H,11H2,1-3H3;1H
InChIKeyVUKCESSSHOAWDP-UHFFFAOYSA-N
XLogP5.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.82
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride (CID 53317420) is 1-[(3,4-difluorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride is CC1=CC(C)(C)N(Cc2ccc(F)c(F)c2)c2ccc(O)cc21.Cl.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride?
The InChIKey is VUKCESSSHOAWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO.ClH/c1-12-10-19(2,3)22(18-7-5-14(23)9-15(12)18)11-13-4-6-16(20)17(21)8-13;/h4-10,23H,11H2,1-3H3;1H.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride?
1-[(3,4-difluorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride has a molecular weight of 351.82 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride is sourced from PubChem (CID 53317420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).