2-(4-ethylanilino)-4-methylquinolin-7-ol;hydrochloride

C18H19ClN2O — CID 135971382

IUPAC2-(4-ethylanilino)-4-methylquinolin-7-ol;hydrochloride
SMILESCCc1ccc(Nc2cc(C)c3ccc(O)cc3n2)cc1.Cl
InChIInChI=1S/C18H18N2O.ClH/c1-3-13-4-6-14(7-5-13)19-18-10-12(2)16-9-8-15(21)11-17(16)20-18;/h4-11,21H,3H2,1-2H3,(H,19,20);1H
InChIKeyPMDDQXCWDHUJJW-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.98
Rot. Bonds3

About 2-(4-ethylanilino)-4-methylquinolin-7-ol;hydrochloride

2-(4-ethylanilino)-4-methylquinolin-7-ol;hydrochloride (PubChem CID 135971382) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-(4-ethylanilino)-4-methylquinolin-7-ol;hydrochloride.

Molecular Properties

Compound Name2-(4-ethylanilino)-4-methylquinolin-7-ol;hydrochloride
PubChem CID135971382
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name2-(4-ethylanilino)-4-methylquinolin-7-ol;hydrochloride
SMILESCCc1ccc(Nc2cc(C)c3ccc(O)cc3n2)cc1.Cl
InChIInChI=1S/C18H18N2O.ClH/c1-3-13-4-6-14(7-5-13)19-18-10-12(2)16-9-8-15(21)11-17(16)20-18;/h4-11,21H,3H2,1-2H3,(H,19,20);1H
InChIKeyPMDDQXCWDHUJJW-UHFFFAOYSA-N
XLogP4.98
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-4-methylquinolin-7-ol;hydrochloride?
The IUPAC name of 2-(4-ethylanilino)-4-methylquinolin-7-ol;hydrochloride (CID 135971382) is 2-(4-ethylanilino)-4-methylquinolin-7-ol;hydrochloride.
What is the SMILES notation for 2-(4-ethylanilino)-4-methylquinolin-7-ol;hydrochloride?
The canonical SMILES for 2-(4-ethylanilino)-4-methylquinolin-7-ol;hydrochloride is CCc1ccc(Nc2cc(C)c3ccc(O)cc3n2)cc1.Cl.
What is the InChIKey of 2-(4-ethylanilino)-4-methylquinolin-7-ol;hydrochloride?
The InChIKey is PMDDQXCWDHUJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O.ClH/c1-3-13-4-6-14(7-5-13)19-18-10-12(2)16-9-8-15(21)11-17(16)20-18;/h4-11,21H,3H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-(4-ethylanilino)-4-methylquinolin-7-ol;hydrochloride?
2-(4-ethylanilino)-4-methylquinolin-7-ol;hydrochloride has a molecular weight of 314.82 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-4-methylquinolin-7-ol;hydrochloride is sourced from PubChem (CID 135971382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).