1-acetyl-7-amino-3-methylquinolin-2-one

C12H12N2O2 — CID 110668267

IUPAC1-acetyl-7-amino-3-methylquinolin-2-one
SMILESCC(=O)n1c(=O)c(C)cc2ccc(N)cc21
InChIInChI=1S/C12H12N2O2/c1-7-5-9-3-4-10(13)6-11(9)14(8(2)15)12(7)16/h3-6H,13H2,1-2H3
InChIKeySVBRTZPSZYCOPD-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.55
Rot. Bonds

About 1-acetyl-7-amino-3-methylquinolin-2-one

1-acetyl-7-amino-3-methylquinolin-2-one (PubChem CID 110668267) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-acetyl-7-amino-3-methylquinolin-2-one.

Molecular Properties

Compound Name1-acetyl-7-amino-3-methylquinolin-2-one
PubChem CID110668267
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-acetyl-7-amino-3-methylquinolin-2-one
SMILESCC(=O)n1c(=O)c(C)cc2ccc(N)cc21
InChIInChI=1S/C12H12N2O2/c1-7-5-9-3-4-10(13)6-11(9)14(8(2)15)12(7)16/h3-6H,13H2,1-2H3
InChIKeySVBRTZPSZYCOPD-UHFFFAOYSA-N
XLogP1.55
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
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 1-acetyl-7-amino-3-methylquinolin-2-one?
The IUPAC name of 1-acetyl-7-amino-3-methylquinolin-2-one (CID 110668267) is 1-acetyl-7-amino-3-methylquinolin-2-one.
What is the SMILES notation for 1-acetyl-7-amino-3-methylquinolin-2-one?
The canonical SMILES for 1-acetyl-7-amino-3-methylquinolin-2-one is CC(=O)n1c(=O)c(C)cc2ccc(N)cc21.
What is the InChIKey of 1-acetyl-7-amino-3-methylquinolin-2-one?
The InChIKey is SVBRTZPSZYCOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-5-9-3-4-10(13)6-11(9)14(8(2)15)12(7)16/h3-6H,13H2,1-2H3.
What are the key properties of 1-acetyl-7-amino-3-methylquinolin-2-one?
1-acetyl-7-amino-3-methylquinolin-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-7-amino-3-methylquinolin-2-one is sourced from PubChem (CID 110668267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).