2-methyl-7-nitro-1H-quinolin-4-one

C10H8N2O3 — CID 10703350

IUPAC2-methyl-7-nitro-1H-quinolin-4-one
SMILESCc1cc(=O)c2ccc([N+](=O)[O-])cc2[nH]1
InChIInChI=1S/C10H8N2O3/c1-6-4-10(13)8-3-2-7(12(14)15)5-9(8)11-6/h2-5H,1H3,(H,11,13)
InChIKeyRISSXSDSYFLKOV-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.74
Rot. Bonds1

About 2-methyl-7-nitro-1H-quinolin-4-one

2-methyl-7-nitro-1H-quinolin-4-one (PubChem CID 10703350) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-methyl-7-nitro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-7-nitro-1H-quinolin-4-one
PubChem CID10703350
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name2-methyl-7-nitro-1H-quinolin-4-one
SMILESCc1cc(=O)c2ccc([N+](=O)[O-])cc2[nH]1
InChIInChI=1S/C10H8N2O3/c1-6-4-10(13)8-3-2-7(12(14)15)5-9(8)11-6/h2-5H,1H3,(H,11,13)
InChIKeyRISSXSDSYFLKOV-UHFFFAOYSA-N
XLogP1.74
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-nitro-1H-quinazoline-2,4-dione
CID 3398113
2-methyl-6-nitro-10H-acridin-9-one
CID 154179171
3,4-bis(2-methyl-6-nitro-1H-indol-3-yl)pyrrole-2,5-dione
CID 90957903
3-methyl-7-nitro-1H-quinolin-4-one
CID 10560102
6-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 4038142
2-methyl-6-nitro-1H-benzimidazol-3-ium
CID 5142307
3-methyl-6-nitro-9H-carbazole
CID 58160212
3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole
CID 11653124
7-nitro-2,3,4,9-tetrahydro-1H-carbazole
CID 15621612
ethane;2-methyl-6-nitro-1H-benzimidazole
CID 90798805
4-butoxy-3-hydroxy-7-nitro-1H-quinolin-2-one
CID 23300637
4-butoxy-3-methoxy-7-nitro-1H-quinolin-2-one
CID 23300869

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-nitro-1H-quinolin-4-one?
The IUPAC name of 2-methyl-7-nitro-1H-quinolin-4-one (CID 10703350) is 2-methyl-7-nitro-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-7-nitro-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-7-nitro-1H-quinolin-4-one is Cc1cc(=O)c2ccc([N+](=O)[O-])cc2[nH]1.
What is the InChIKey of 2-methyl-7-nitro-1H-quinolin-4-one?
The InChIKey is RISSXSDSYFLKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-6-4-10(13)8-3-2-7(12(14)15)5-9(8)11-6/h2-5H,1H3,(H,11,13).
What are the key properties of 2-methyl-7-nitro-1H-quinolin-4-one?
2-methyl-7-nitro-1H-quinolin-4-one has a molecular weight of 204.19 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-nitro-1H-quinolin-4-one is sourced from PubChem (CID 10703350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).