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

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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).