6-amino-2-(4-aminophenyl)-3H-quinolin-4-one

C15H13N3O — CID 153186793

IUPAC6-amino-2-(4-aminophenyl)-3H-quinolin-4-one
SMILESNc1ccc(C2=Nc3ccc(N)cc3C(=O)C2)cc1
InChIInChI=1S/C15H13N3O/c16-10-3-1-9(2-4-10)14-8-15(19)12-7-11(17)5-6-13(12)18-14/h1-7H,8,16-17H2
InChIKeyWHFXSAWTQWPTJU-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.56
Rot. Bonds1

About 6-amino-2-(4-aminophenyl)-3H-quinolin-4-one

6-amino-2-(4-aminophenyl)-3H-quinolin-4-one (PubChem CID 153186793) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-amino-2-(4-aminophenyl)-3H-quinolin-4-one.

Molecular Properties

Compound Name6-amino-2-(4-aminophenyl)-3H-quinolin-4-one
PubChem CID153186793
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name6-amino-2-(4-aminophenyl)-3H-quinolin-4-one
SMILESNc1ccc(C2=Nc3ccc(N)cc3C(=O)C2)cc1
InChIInChI=1S/C15H13N3O/c16-10-3-1-9(2-4-10)14-8-15(19)12-7-11(17)5-6-13(12)18-14/h1-7H,8,16-17H2
InChIKeyWHFXSAWTQWPTJU-UHFFFAOYSA-N
XLogP2.56
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(4-aminophenyl)-3H-quinolin-4-one?
The IUPAC name of 6-amino-2-(4-aminophenyl)-3H-quinolin-4-one (CID 153186793) is 6-amino-2-(4-aminophenyl)-3H-quinolin-4-one.
What is the SMILES notation for 6-amino-2-(4-aminophenyl)-3H-quinolin-4-one?
The canonical SMILES for 6-amino-2-(4-aminophenyl)-3H-quinolin-4-one is Nc1ccc(C2=Nc3ccc(N)cc3C(=O)C2)cc1.
What is the InChIKey of 6-amino-2-(4-aminophenyl)-3H-quinolin-4-one?
The InChIKey is WHFXSAWTQWPTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-10-3-1-9(2-4-10)14-8-15(19)12-7-11(17)5-6-13(12)18-14/h1-7H,8,16-17H2.
What are the key properties of 6-amino-2-(4-aminophenyl)-3H-quinolin-4-one?
6-amino-2-(4-aminophenyl)-3H-quinolin-4-one has a molecular weight of 251.29 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4-aminophenyl)-3H-quinolin-4-one is sourced from PubChem (CID 153186793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).