2,3-dimethyl-8-nitro-1H-quinolin-4-one

C11H10N2O3 — CID 139782421

IUPAC2,3-dimethyl-8-nitro-1H-quinolin-4-one
SMILESCc1[nH]c2c([N+](=O)[O-])cccc2c(=O)c1C
InChIInChI=1S/C11H10N2O3/c1-6-7(2)12-10-8(11(6)14)4-3-5-9(10)13(15)16/h3-5H,1-2H3,(H,12,14)
InChIKeySMTLAHXFWCJYOM-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.05
Rot. Bonds1

About 2,3-dimethyl-8-nitro-1H-quinolin-4-one

2,3-dimethyl-8-nitro-1H-quinolin-4-one (PubChem CID 139782421) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2,3-dimethyl-8-nitro-1H-quinolin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-8-nitro-1H-quinolin-4-one
PubChem CID139782421
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2,3-dimethyl-8-nitro-1H-quinolin-4-one
SMILESCc1[nH]c2c([N+](=O)[O-])cccc2c(=O)c1C
InChIInChI=1S/C11H10N2O3/c1-6-7(2)12-10-8(11(6)14)4-3-5-9(10)13(15)16/h3-5H,1-2H3,(H,12,14)
InChIKeySMTLAHXFWCJYOM-UHFFFAOYSA-N
XLogP2.05
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.05
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

8-bromo-2,3-dimethyl-1H-quinolin-4-one
CID 60995686
8-nitro-1H-3,1-benzoxazine-2,4-dione
CID 10899806
2-methyl-4-nitro-10H-acridin-9-one
CID 23198540
8-nitro-2-[3-(trifluoromethyl)phenyl]-1H-quinolin-4-one
CID 58552922
ethyl 8-nitro-4-oxo-1H-quinoline-3-carboxylate
CID 734639
8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one
CID 102503290
4-(4-bromophenyl)-8-nitro-1H-quinolin-2-one
CID 118728040
1-nitro-7-(trifluoromethyl)-9H-carbazole
CID 68927273
2,3-dimethyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
CID 54890999
ethane;3-methyl-7-nitro-2H-indazole
CID 143766965
1,3-dimethyl-8-nitro-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 137187505
1,5,9-trinitrotriphenylene
CID 86227277

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-8-nitro-1H-quinolin-4-one?
The IUPAC name of 2,3-dimethyl-8-nitro-1H-quinolin-4-one (CID 139782421) is 2,3-dimethyl-8-nitro-1H-quinolin-4-one.
What is the SMILES notation for 2,3-dimethyl-8-nitro-1H-quinolin-4-one?
The canonical SMILES for 2,3-dimethyl-8-nitro-1H-quinolin-4-one is Cc1[nH]c2c([N+](=O)[O-])cccc2c(=O)c1C.
What is the InChIKey of 2,3-dimethyl-8-nitro-1H-quinolin-4-one?
The InChIKey is SMTLAHXFWCJYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-7(2)12-10-8(11(6)14)4-3-5-9(10)13(15)16/h3-5H,1-2H3,(H,12,14).
What are the key properties of 2,3-dimethyl-8-nitro-1H-quinolin-4-one?
2,3-dimethyl-8-nitro-1H-quinolin-4-one has a molecular weight of 218.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-8-nitro-1H-quinolin-4-one is sourced from PubChem (CID 139782421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).