6-amino-1H-quinolin-4-one

C9H8N2O — CID 10419466

IUPAC6-amino-1H-quinolin-4-one
SMILESNc1ccc2[nH]ccc(=O)c2c1
InChIInChI=1S/C9H8N2O/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,10H2,(H,11,12)
InChIKeyQDPTYTIUPLHNKB-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.11
Rot. Bonds

About 6-amino-1H-quinolin-4-one

6-amino-1H-quinolin-4-one (PubChem CID 10419466) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 6-amino-1H-quinolin-4-one.

Molecular Properties

Compound Name6-amino-1H-quinolin-4-one
PubChem CID10419466
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name6-amino-1H-quinolin-4-one
SMILESNc1ccc2[nH]ccc(=O)c2c1
InChIInChI=1S/C9H8N2O/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,10H2,(H,11,12)
InChIKeyQDPTYTIUPLHNKB-UHFFFAOYSA-N
XLogP1.11
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-1H-quinolin-4-one?
The IUPAC name of 6-amino-1H-quinolin-4-one (CID 10419466) is 6-amino-1H-quinolin-4-one.
What is the SMILES notation for 6-amino-1H-quinolin-4-one?
The canonical SMILES for 6-amino-1H-quinolin-4-one is Nc1ccc2[nH]ccc(=O)c2c1.
What is the InChIKey of 6-amino-1H-quinolin-4-one?
The InChIKey is QDPTYTIUPLHNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,10H2,(H,11,12).
What are the key properties of 6-amino-1H-quinolin-4-one?
6-amino-1H-quinolin-4-one has a molecular weight of 160.18 g/mol, XLogP of 1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1H-quinolin-4-one is sourced from PubChem (CID 10419466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).