1-[(4-chlorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol

C19H20ClNO — CID 45484244

IUPAC1-[(4-chlorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol
SMILESCC1=CC(C)(C)N(Cc2ccc(Cl)cc2)c2ccc(O)cc21
InChIInChI=1S/C19H20ClNO/c1-13-11-19(2,3)21(12-14-4-6-15(20)7-5-14)18-9-8-16(22)10-17(13)18/h4-11,22H,12H2,1-3H3
InChIKeySXIIQLZTNWZCSK-UHFFFAOYSA-N
MW313.83 g/mol
LogP5.25
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol

1-[(4-chlorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol (PubChem CID 45484244) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol
PubChem CID45484244
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name1-[(4-chlorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol
SMILESCC1=CC(C)(C)N(Cc2ccc(Cl)cc2)c2ccc(O)cc21
InChIInChI=1S/C19H20ClNO/c1-13-11-19(2,3)21(12-14-4-6-15(20)7-5-14)18-9-8-16(22)10-17(13)18/h4-11,22H,12H2,1-3H3
InChIKeySXIIQLZTNWZCSK-UHFFFAOYSA-N
XLogP5.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.83
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol (CID 45484244) is 1-[(4-chlorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol is CC1=CC(C)(C)N(Cc2ccc(Cl)cc2)c2ccc(O)cc21.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol?
The InChIKey is SXIIQLZTNWZCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-13-11-19(2,3)21(12-14-4-6-15(20)7-5-14)18-9-8-16(22)10-17(13)18/h4-11,22H,12H2,1-3H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol?
1-[(4-chlorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol has a molecular weight of 313.83 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol is sourced from PubChem (CID 45484244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).