7-methyl-8-nitro-2,3-dihydro-1H-quinolin-4-one

C10H10N2O3 — CID 19876009

IUPAC7-methyl-8-nitro-2,3-dihydro-1H-quinolin-4-one
SMILESCc1ccc2c(c1[N+](=O)[O-])NCCC2=O
InChIInChI=1S/C10H10N2O3/c1-6-2-3-7-8(13)4-5-11-9(7)10(6)12(14)15/h2-3,11H,4-5H2,1H3
InChIKeyZWEYDGGZQGQMKY-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.90
Rot. Bonds1

About 7-methyl-8-nitro-2,3-dihydro-1H-quinolin-4-one

7-methyl-8-nitro-2,3-dihydro-1H-quinolin-4-one (PubChem CID 19876009) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 7-methyl-8-nitro-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name7-methyl-8-nitro-2,3-dihydro-1H-quinolin-4-one
PubChem CID19876009
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name7-methyl-8-nitro-2,3-dihydro-1H-quinolin-4-one
SMILESCc1ccc2c(c1[N+](=O)[O-])NCCC2=O
InChIInChI=1S/C10H10N2O3/c1-6-2-3-7-8(13)4-5-11-9(7)10(6)12(14)15/h2-3,11H,4-5H2,1H3
InChIKeyZWEYDGGZQGQMKY-UHFFFAOYSA-N
XLogP1.90
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-nitro-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 7-methyl-8-nitro-2,3-dihydro-1H-quinolin-4-one (CID 19876009) is 7-methyl-8-nitro-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 7-methyl-8-nitro-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 7-methyl-8-nitro-2,3-dihydro-1H-quinolin-4-one is Cc1ccc2c(c1[N+](=O)[O-])NCCC2=O.
What is the InChIKey of 7-methyl-8-nitro-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is ZWEYDGGZQGQMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6-2-3-7-8(13)4-5-11-9(7)10(6)12(14)15/h2-3,11H,4-5H2,1H3.
What are the key properties of 7-methyl-8-nitro-2,3-dihydro-1H-quinolin-4-one?
7-methyl-8-nitro-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 206.20 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-nitro-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 19876009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).