1-ethyl-3-methylcinnolin-4-one

C11H12N2O — CID 67950307

IUPAC1-ethyl-3-methylcinnolin-4-one
SMILESCCn1nc(C)c(=O)c2ccccc21
InChIInChI=1S/C11H12N2O/c1-3-13-10-7-5-4-6-9(10)11(14)8(2)12-13/h4-7H,3H2,1-2H3
InChIKeyAIPHVAWGOQRIJG-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.72
Rot. Bonds1

About 1-ethyl-3-methylcinnolin-4-one

1-ethyl-3-methylcinnolin-4-one (PubChem CID 67950307) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-ethyl-3-methylcinnolin-4-one.

Molecular Properties

Compound Name1-ethyl-3-methylcinnolin-4-one
PubChem CID67950307
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-ethyl-3-methylcinnolin-4-one
SMILESCCn1nc(C)c(=O)c2ccccc21
InChIInChI=1S/C11H12N2O/c1-3-13-10-7-5-4-6-9(10)11(14)8(2)12-13/h4-7H,3H2,1-2H3
InChIKeyAIPHVAWGOQRIJG-UHFFFAOYSA-N
XLogP1.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-3-methylcinnolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-4-quinolone
CID 6748
2-Methylquinolin-4-ol
CID 69089
2,3-Dimethylquinolin-4-OL
CID 237396
1-Methyl-2-phenyl-4(1H)-quinolinone
CID 776143
3-Ethyl-2-methylquinolin-4-ol
CID 599120
1-Methyl-2-nonyl-4(1H)-quinolone
CID 13967189
10-Methyl-1,3,4,10-tetrahydroacridin-9(2H)-one
CID 231951
1-Methyl-2-[(Z)-7-tridecenyl]-4(1H)-quinolone
CID 5319779
4-Quinolinone, 1,2,3,4-tetrahydro-1,3,3-trimethyl-
CID 99218
2-Propylquinolin-4-ol
CID 12798219
3-[(Butylmethylamino)methyl]-2-methylquinolin-4-ol
CID 1560369
GNF-Pf-3982
CID 780973

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylcinnolin-4-one?
The IUPAC name of 1-ethyl-3-methylcinnolin-4-one (CID 67950307) is 1-ethyl-3-methylcinnolin-4-one.
What is the SMILES notation for 1-ethyl-3-methylcinnolin-4-one?
The canonical SMILES for 1-ethyl-3-methylcinnolin-4-one is CCn1nc(C)c(=O)c2ccccc21.
What is the InChIKey of 1-ethyl-3-methylcinnolin-4-one?
The InChIKey is AIPHVAWGOQRIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-3-13-10-7-5-4-6-9(10)11(14)8(2)12-13/h4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-methylcinnolin-4-one?
1-ethyl-3-methylcinnolin-4-one has a molecular weight of 188.23 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylcinnolin-4-one is sourced from PubChem (CID 67950307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).