2-methyl-3-oxo-1H-pyrazolo[4,3-c]quinoline-6-carbonitrile

C12H8N4O — CID 53264511

IUPAC2-methyl-3-oxo-1H-pyrazolo[4,3-c]quinoline-6-carbonitrile
SMILESCn1[nH]c2c(cnc3c(C#N)cccc32)c1=O
InChIInChI=1S/C12H8N4O/c1-16-12(17)9-6-14-10-7(5-13)3-2-4-8(10)11(9)15-16/h2-4,6,15H,1H3
InChIKeyPVXGJDSQBOQCRB-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.29
Rot. Bonds

About 2-methyl-3-oxo-1H-pyrazolo[4,3-c]quinoline-6-carbonitrile

2-methyl-3-oxo-1H-pyrazolo[4,3-c]quinoline-6-carbonitrile (PubChem CID 53264511) has the molecular formula C12H8N4O and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-methyl-3-oxo-1H-pyrazolo[4,3-c]quinoline-6-carbonitrile.

Molecular Properties

Compound Name2-methyl-3-oxo-1H-pyrazolo[4,3-c]quinoline-6-carbonitrile
PubChem CID53264511
Molecular FormulaC12H8N4O
Molecular Weight224.22 g/mol
Exact Mass224.07
IUPAC Name2-methyl-3-oxo-1H-pyrazolo[4,3-c]quinoline-6-carbonitrile
SMILESCn1[nH]c2c(cnc3c(C#N)cccc32)c1=O
InChIInChI=1S/C12H8N4O/c1-16-12(17)9-6-14-10-7(5-13)3-2-4-8(10)11(9)15-16/h2-4,6,15H,1H3
InChIKeyPVXGJDSQBOQCRB-UHFFFAOYSA-N
XLogP1.29
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-oxo-2H-indazole-7-carbonitrile
CID 105435392
2-methyl-3-oxo-1H-indazole-4-carbonitrile
CID 105435395
4-chloroquinazoline-8-carbonitrile
CID 71721373
ethane;3-methyl-2H-phthalazine-1,4-dione
CID 162182328
2,7-dimethyl-6-propan-2-yl-1H-pyrazolo[4,3-b]pyridin-3-one
CID 146322867
ethyl 8-cyano-4-(methylamino)quinoline-3-carboxylate
CID 53264523
5-ethylquinoline-8-carbonitrile
CID 146709556
8-chloro-4-methylquinoline-3-carbonitrile
CID 105454918
2-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]benzonitrile
CID 107785676
3-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-(2-phenylethyl)benzamide
CID 174494762
1-[(3-ethylimidazol-4-yl)methyl]-2-oxopyridine-3-carbonitrile
CID 107017493
2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carbonitrile
CID 103520095

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-1H-pyrazolo[4,3-c]quinoline-6-carbonitrile?
The IUPAC name of 2-methyl-3-oxo-1H-pyrazolo[4,3-c]quinoline-6-carbonitrile (CID 53264511) is 2-methyl-3-oxo-1H-pyrazolo[4,3-c]quinoline-6-carbonitrile.
What is the SMILES notation for 2-methyl-3-oxo-1H-pyrazolo[4,3-c]quinoline-6-carbonitrile?
The canonical SMILES for 2-methyl-3-oxo-1H-pyrazolo[4,3-c]quinoline-6-carbonitrile is Cn1[nH]c2c(cnc3c(C#N)cccc32)c1=O.
What is the InChIKey of 2-methyl-3-oxo-1H-pyrazolo[4,3-c]quinoline-6-carbonitrile?
The InChIKey is PVXGJDSQBOQCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O/c1-16-12(17)9-6-14-10-7(5-13)3-2-4-8(10)11(9)15-16/h2-4,6,15H,1H3.
What are the key properties of 2-methyl-3-oxo-1H-pyrazolo[4,3-c]quinoline-6-carbonitrile?
2-methyl-3-oxo-1H-pyrazolo[4,3-c]quinoline-6-carbonitrile has a molecular weight of 224.22 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-1H-pyrazolo[4,3-c]quinoline-6-carbonitrile is sourced from PubChem (CID 53264511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).