8-amino-2-methyl-1H-quinolin-4-one

C10H10N2O — CID 21448150

IUPAC8-amino-2-methyl-1H-quinolin-4-one
SMILESCc1cc(=O)c2cccc(N)c2[nH]1
InChIInChI=1S/C10H10N2O/c1-6-5-9(13)7-3-2-4-8(11)10(7)12-6/h2-5H,11H2,1H3,(H,12,13)
InChIKeyVEAIOISABOGACX-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.42
Rot. Bonds

About 8-amino-2-methyl-1H-quinolin-4-one

8-amino-2-methyl-1H-quinolin-4-one (PubChem CID 21448150) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 8-amino-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name8-amino-2-methyl-1H-quinolin-4-one
PubChem CID21448150
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name8-amino-2-methyl-1H-quinolin-4-one
SMILESCc1cc(=O)c2cccc(N)c2[nH]1
InChIInChI=1S/C10H10N2O/c1-6-5-9(13)7-3-2-4-8(11)10(7)12-6/h2-5H,11H2,1H3,(H,12,13)
InChIKeyVEAIOISABOGACX-UHFFFAOYSA-N
XLogP1.42
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.42
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 8-amino-2-methyl-1H-quinolin-4-one?
The IUPAC name of 8-amino-2-methyl-1H-quinolin-4-one (CID 21448150) is 8-amino-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 8-amino-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 8-amino-2-methyl-1H-quinolin-4-one is Cc1cc(=O)c2cccc(N)c2[nH]1.
What is the InChIKey of 8-amino-2-methyl-1H-quinolin-4-one?
The InChIKey is VEAIOISABOGACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-6-5-9(13)7-3-2-4-8(11)10(7)12-6/h2-5H,11H2,1H3,(H,12,13).
What are the key properties of 8-amino-2-methyl-1H-quinolin-4-one?
8-amino-2-methyl-1H-quinolin-4-one has a molecular weight of 174.20 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 21448150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).