7-amino-3,4,6-trimethyl-1H-quinolin-2-one

C12H14N2O — CID 1480771

IUPAC7-amino-3,4,6-trimethyl-1H-quinolin-2-one
SMILESCc1cc2c(C)c(C)c(=O)[nH]c2cc1N
InChIInChI=1S/C12H14N2O/c1-6-4-9-7(2)8(3)12(15)14-11(9)5-10(6)13/h4-5H,13H2,1-3H3,(H,14,15)
InChIKeyGSPDIHHLHQTKJB-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.04
Rot. Bonds

About 7-amino-3,4,6-trimethyl-1H-quinolin-2-one

7-amino-3,4,6-trimethyl-1H-quinolin-2-one (PubChem CID 1480771) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 7-amino-3,4,6-trimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-3,4,6-trimethyl-1H-quinolin-2-one
PubChem CID1480771
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name7-amino-3,4,6-trimethyl-1H-quinolin-2-one
SMILESCc1cc2c(C)c(C)c(=O)[nH]c2cc1N
InChIInChI=1S/C12H14N2O/c1-6-4-9-7(2)8(3)12(15)14-11(9)5-10(6)13/h4-5H,13H2,1-3H3,(H,14,15)
InChIKeyGSPDIHHLHQTKJB-UHFFFAOYSA-N
XLogP2.04
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.04
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 7-amino-3,4,6-trimethyl-1H-quinolin-2-one?
The IUPAC name of 7-amino-3,4,6-trimethyl-1H-quinolin-2-one (CID 1480771) is 7-amino-3,4,6-trimethyl-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-3,4,6-trimethyl-1H-quinolin-2-one?
The canonical SMILES for 7-amino-3,4,6-trimethyl-1H-quinolin-2-one is Cc1cc2c(C)c(C)c(=O)[nH]c2cc1N.
What is the InChIKey of 7-amino-3,4,6-trimethyl-1H-quinolin-2-one?
The InChIKey is GSPDIHHLHQTKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-6-4-9-7(2)8(3)12(15)14-11(9)5-10(6)13/h4-5H,13H2,1-3H3,(H,14,15).
What are the key properties of 7-amino-3,4,6-trimethyl-1H-quinolin-2-one?
7-amino-3,4,6-trimethyl-1H-quinolin-2-one has a molecular weight of 202.26 g/mol, XLogP of 2.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3,4,6-trimethyl-1H-quinolin-2-one is sourced from PubChem (CID 1480771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).