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

C20H23N3O — CID 696596

IUPAC1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(N(C)C)cc3)c2c1
InChIInChI=1S/C20H23N3O/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)
InChIKeyKDWYQXRDCTWRIT-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.75
Rot. Bonds5

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

1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 696596) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID696596
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(N(C)C)cc3)c2c1
InChIInChI=1S/C20H23N3O/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)
InChIKeyKDWYQXRDCTWRIT-UHFFFAOYSA-N
XLogP4.75
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.75
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?
The IUPAC name of 1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine (CID 696596) is 1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine is CCOc1ccc2nc(C)cc(Nc3ccc(N(C)C)cc3)c2c1.
What is the InChIKey of 1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is KDWYQXRDCTWRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/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).
What are the key properties of 1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-(6-ethoxy-2-methylquinolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 321.42 g/mol, XLogP of 4.75, 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 is sourced from PubChem (CID 696596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).