1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride

C20H24ClN3O — CID 2790771

IUPAC1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(N(C)C)cc3)c2c1.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-5-24-17-10-11-19-18(13-17)20(12-14(2)21-19)22-15-6-8-16(9-7-15)23(3)4;/h6-13H,5H2,1-4H3,(H,21,22);1H
InChIKeyQQKYJRSDJMOTSI-UHFFFAOYSA-N
MW357.89 g/mol
LogP5.17
Rot. Bonds5

About 1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride

1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride (PubChem CID 2790771) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride
PubChem CID2790771
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(N(C)C)cc3)c2c1.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-5-24-17-10-11-19-18(13-17)20(12-14(2)21-19)22-15-6-8-16(9-7-15)23(3)4;/h6-13H,5H2,1-4H3,(H,21,22);1H
InChIKeyQQKYJRSDJMOTSI-UHFFFAOYSA-N
XLogP5.17
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.89
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride?
The IUPAC name of 1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride (CID 2790771) is 1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride.
What is the SMILES notation for 1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride?
The canonical SMILES for 1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride is CCOc1ccc2nc(C)cc(Nc3ccc(N(C)C)cc3)c2c1.Cl.
What is the InChIKey of 1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride?
The InChIKey is QQKYJRSDJMOTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.ClH/c1-5-24-17-10-11-19-18(13-17)20(12-14(2)21-19)22-15-6-8-16(9-7-15)23(3)4;/h6-13H,5H2,1-4H3,(H,21,22);1H.
What are the key properties of 1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride?
1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride is sourced from PubChem (CID 2790771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).