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

C10H8N2O3 — CID 10560102

IUPAC3-methyl-7-nitro-1H-quinolin-4-one
SMILESCc1c[nH]c2cc([N+](=O)[O-])ccc2c1=O
InChIInChI=1S/C10H8N2O3/c1-6-5-11-9-4-7(12(14)15)2-3-8(9)10(6)13/h2-5H,1H3,(H,11,13)
InChIKeyJDDUVYDKYHDKGD-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.74
Rot. Bonds1

About 3-methyl-7-nitro-1H-quinolin-4-one

3-methyl-7-nitro-1H-quinolin-4-one (PubChem CID 10560102) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-methyl-7-nitro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-7-nitro-1H-quinolin-4-one
PubChem CID10560102
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name3-methyl-7-nitro-1H-quinolin-4-one
SMILESCc1c[nH]c2cc([N+](=O)[O-])ccc2c1=O
InChIInChI=1S/C10H8N2O3/c1-6-5-11-9-4-7(12(14)15)2-3-8(9)10(6)13/h2-5H,1H3,(H,11,13)
InChIKeyJDDUVYDKYHDKGD-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

3-bromo-6-nitro-1H-indole
CID 14707934
7-fluoro-3-methyl-1H-quinolin-4-one
CID 175970983
(4,5-dimethylthiophen-2-yl)-(6-nitro-1H-indol-3-yl)methanone
CID 65237307
(1S)-1-(6-nitro-1H-indol-3-yl)ethanamine
CID 82758109
2-methyl-6-nitro-10H-acridin-9-one
CID 154179171
3-(methylsulfanylmethyl)-6-nitro-1H-indole
CID 23245098
sodium 6-nitro-1H-indole-3-sulfinate
CID 165450416
6-nitro-1H-indole-3-sulfonyl chloride
CID 14736087
2-methyl-7-nitro-1H-quinolin-4-one
CID 10703350
methyl 2-(6-nitro-1H-indol-3-yl)-2-oxoacetate
CID 75412293
methyl (6-nitro-1H-indol-3-yl) carbonate
CID 57207350
2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone
CID 43308931

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-nitro-1H-quinolin-4-one?
The IUPAC name of 3-methyl-7-nitro-1H-quinolin-4-one (CID 10560102) is 3-methyl-7-nitro-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-7-nitro-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-7-nitro-1H-quinolin-4-one is Cc1c[nH]c2cc([N+](=O)[O-])ccc2c1=O.
What is the InChIKey of 3-methyl-7-nitro-1H-quinolin-4-one?
The InChIKey is JDDUVYDKYHDKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-6-5-11-9-4-7(12(14)15)2-3-8(9)10(6)13/h2-5H,1H3,(H,11,13).
What are the key properties of 3-methyl-7-nitro-1H-quinolin-4-one?
3-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 3-methyl-7-nitro-1H-quinolin-4-one is sourced from PubChem (CID 10560102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).