ethane;5-methyl-1-(2-oxopropyl)pyrazolo[4,5-c]quinolin-4-one

C16H19N3O2 — CID 90936622

IUPACethane;5-methyl-1-(2-oxopropyl)pyrazolo[4,5-c]quinolin-4-one
SMILESCC.CC(=O)Cn1ncc2c(=O)n(C)c3ccccc3c21
InChIInChI=1S/C14H13N3O2.C2H6/c1-9(18)8-17-13-10-5-3-4-6-12(10)16(2)14(19)11(13)7-15-17;1-2/h3-7H,8H2,1-2H3;1-2H3
InChIKeyVLLSUQNHKCDHBO-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.50
Rot. Bonds2

About ethane;5-methyl-1-(2-oxopropyl)pyrazolo[4,5-c]quinolin-4-one

ethane;5-methyl-1-(2-oxopropyl)pyrazolo[4,5-c]quinolin-4-one (PubChem CID 90936622) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is ethane;5-methyl-1-(2-oxopropyl)pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Nameethane;5-methyl-1-(2-oxopropyl)pyrazolo[4,5-c]quinolin-4-one
PubChem CID90936622
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nameethane;5-methyl-1-(2-oxopropyl)pyrazolo[4,5-c]quinolin-4-one
SMILESCC.CC(=O)Cn1ncc2c(=O)n(C)c3ccccc3c21
InChIInChI=1S/C14H13N3O2.C2H6/c1-9(18)8-17-13-10-5-3-4-6-12(10)16(2)14(19)11(13)7-15-17;1-2/h3-7H,8H2,1-2H3;1-2H3
InChIKeyVLLSUQNHKCDHBO-UHFFFAOYSA-N
XLogP2.50
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;5-methyl-1-(2-oxopropyl)pyrazolo[4,5-c]quinolin-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

ethane;1-(2-oxopropyl)chromeno[3,4-d]pyrazol-4-one
CID 91292022
2-(5,8-dimethyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetic acid
CID 59004239
2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide
CID 20891863
1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione
CID 117262066
2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid
CID 22334744
N-(2-aminoethyl)-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide
CID 68546413
5-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyridazino[4,5-b]indol-4-one
CID 20891834
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
2-(3-oxobutyl)phthalazin-1-one
CID 60724062
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-5-oxopyrazolo[4,5-c]isoquinolin-1-yl)acetamide
CID 68546760
4-acetyl-3-hydroxy-1-methylquinolin-2-one
CID 134987022
2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)propanoic acid
CID 53212538

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1-(2-oxopropyl)pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of ethane;5-methyl-1-(2-oxopropyl)pyrazolo[4,5-c]quinolin-4-one (CID 90936622) is ethane;5-methyl-1-(2-oxopropyl)pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for ethane;5-methyl-1-(2-oxopropyl)pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for ethane;5-methyl-1-(2-oxopropyl)pyrazolo[4,5-c]quinolin-4-one is CC.CC(=O)Cn1ncc2c(=O)n(C)c3ccccc3c21.
What is the InChIKey of ethane;5-methyl-1-(2-oxopropyl)pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is VLLSUQNHKCDHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2.C2H6/c1-9(18)8-17-13-10-5-3-4-6-12(10)16(2)14(19)11(13)7-15-17;1-2/h3-7H,8H2,1-2H3;1-2H3.
What are the key properties of ethane;5-methyl-1-(2-oxopropyl)pyrazolo[4,5-c]quinolin-4-one?
ethane;5-methyl-1-(2-oxopropyl)pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 285.35 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1-(2-oxopropyl)pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 90936622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).