2-(3,4-dimethylanilino)-4-methylquinolin-5-ol;hydrochloride

C18H19ClN2O — CID 135472794

IUPAC2-(3,4-dimethylanilino)-4-methylquinolin-5-ol;hydrochloride
SMILESCc1ccc(Nc2cc(C)c3c(O)cccc3n2)cc1C.Cl
InChIInChI=1S/C18H18N2O.ClH/c1-11-7-8-14(9-12(11)2)19-17-10-13(3)18-15(20-17)5-4-6-16(18)21;/h4-10,21H,1-3H3,(H,19,20);1H
InChIKeyUEWIQVJYGPCFMI-UHFFFAOYSA-N
MW314.82 g/mol
LogP5.03
Rot. Bonds2

About 2-(3,4-dimethylanilino)-4-methylquinolin-5-ol;hydrochloride

2-(3,4-dimethylanilino)-4-methylquinolin-5-ol;hydrochloride (PubChem CID 135472794) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-4-methylquinolin-5-ol;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-4-methylquinolin-5-ol;hydrochloride
PubChem CID135472794
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name2-(3,4-dimethylanilino)-4-methylquinolin-5-ol;hydrochloride
SMILESCc1ccc(Nc2cc(C)c3c(O)cccc3n2)cc1C.Cl
InChIInChI=1S/C18H18N2O.ClH/c1-11-7-8-14(9-12(11)2)19-17-10-13(3)18-15(20-17)5-4-6-16(18)21;/h4-10,21H,1-3H3,(H,19,20);1H
InChIKeyUEWIQVJYGPCFMI-UHFFFAOYSA-N
XLogP5.03
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.82
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylanilino)quinolin-5-ol
CID 142739435
2-(2-fluoroanilino)-4-methylquinolin-5-ol
CID 135609771
6-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80755260
2-(3-fluoro-4-methylanilino)-4-methylquinolin-7-ol
CID 135609769
4-N-(3,4-dimethylphenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956276
4-methyl-N-phenylquinolin-2-amine
CID 616278
4,5,7-trimethyl-N-phenylquinolin-2-amine
CID 740918
4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80754824
2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 71671107
2-N-(3-bromophenyl)-4-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928197
6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715335
2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide
CID 114767157

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-4-methylquinolin-5-ol;hydrochloride?
The IUPAC name of 2-(3,4-dimethylanilino)-4-methylquinolin-5-ol;hydrochloride (CID 135472794) is 2-(3,4-dimethylanilino)-4-methylquinolin-5-ol;hydrochloride.
What is the SMILES notation for 2-(3,4-dimethylanilino)-4-methylquinolin-5-ol;hydrochloride?
The canonical SMILES for 2-(3,4-dimethylanilino)-4-methylquinolin-5-ol;hydrochloride is Cc1ccc(Nc2cc(C)c3c(O)cccc3n2)cc1C.Cl.
What is the InChIKey of 2-(3,4-dimethylanilino)-4-methylquinolin-5-ol;hydrochloride?
The InChIKey is UEWIQVJYGPCFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O.ClH/c1-11-7-8-14(9-12(11)2)19-17-10-13(3)18-15(20-17)5-4-6-16(18)21;/h4-10,21H,1-3H3,(H,19,20);1H.
What are the key properties of 2-(3,4-dimethylanilino)-4-methylquinolin-5-ol;hydrochloride?
2-(3,4-dimethylanilino)-4-methylquinolin-5-ol;hydrochloride has a molecular weight of 314.82 g/mol, XLogP of 5.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-4-methylquinolin-5-ol;hydrochloride is sourced from PubChem (CID 135472794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).