2-(3,4-dimethylanilino)-4-methylquinolin-7-ol;hydrochloride

C18H19ClN2O — CID 135472789

IUPAC2-(3,4-dimethylanilino)-4-methylquinolin-7-ol;hydrochloride
SMILESCc1ccc(Nc2cc(C)c3ccc(O)cc3n2)cc1C.Cl
InChIInChI=1S/C18H18N2O.ClH/c1-11-4-5-14(8-12(11)2)19-18-9-13(3)16-7-6-15(21)10-17(16)20-18;/h4-10,21H,1-3H3,(H,19,20);1H
InChIKeyDIRZUVDMGFYHGA-UHFFFAOYSA-N
MW314.82 g/mol
LogP5.03
Rot. Bonds2

About 2-(3,4-dimethylanilino)-4-methylquinolin-7-ol;hydrochloride

2-(3,4-dimethylanilino)-4-methylquinolin-7-ol;hydrochloride (PubChem CID 135472789) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-4-methylquinolin-7-ol;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-4-methylquinolin-7-ol;hydrochloride
PubChem CID135472789
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name2-(3,4-dimethylanilino)-4-methylquinolin-7-ol;hydrochloride
SMILESCc1ccc(Nc2cc(C)c3ccc(O)cc3n2)cc1C.Cl
InChIInChI=1S/C18H18N2O.ClH/c1-11-4-5-14(8-12(11)2)19-18-9-13(3)16-7-6-15(21)10-17(16)20-18;/h4-10,21H,1-3H3,(H,19,20);1H
InChIKeyDIRZUVDMGFYHGA-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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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-4-methylquinolin-7-ol;hydrochloride?
The IUPAC name of 2-(3,4-dimethylanilino)-4-methylquinolin-7-ol;hydrochloride (CID 135472789) is 2-(3,4-dimethylanilino)-4-methylquinolin-7-ol;hydrochloride.
What is the SMILES notation for 2-(3,4-dimethylanilino)-4-methylquinolin-7-ol;hydrochloride?
The canonical SMILES for 2-(3,4-dimethylanilino)-4-methylquinolin-7-ol;hydrochloride is Cc1ccc(Nc2cc(C)c3ccc(O)cc3n2)cc1C.Cl.
What is the InChIKey of 2-(3,4-dimethylanilino)-4-methylquinolin-7-ol;hydrochloride?
The InChIKey is DIRZUVDMGFYHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O.ClH/c1-11-4-5-14(8-12(11)2)19-18-9-13(3)16-7-6-15(21)10-17(16)20-18;/h4-10,21H,1-3H3,(H,19,20);1H.
What are the key properties of 2-(3,4-dimethylanilino)-4-methylquinolin-7-ol;hydrochloride?
2-(3,4-dimethylanilino)-4-methylquinolin-7-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-7-ol;hydrochloride is sourced from PubChem (CID 135472789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).