N-methoxy-N-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C12H13N3O5 — CID 155103176

IUPACN-methoxy-N-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCON(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)NC(=O)CC2
InChIInChI=1S/C12H13N3O5/c1-14(20-2)12(17)8-5-7-3-4-10(16)13-11(7)9(6-8)15(18)19/h5-6H,3-4H2,1-2H3,(H,13,16)
InChIKeyQBNRQFNJIJDMIS-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.11
Rot. Bonds3

About N-methoxy-N-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-methoxy-N-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 155103176) has the molecular formula C12H13N3O5 and a molecular weight of 279.25 g/mol. Its IUPAC name is N-methoxy-N-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID155103176
Molecular FormulaC12H13N3O5
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC NameN-methoxy-N-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCON(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)NC(=O)CC2
InChIInChI=1S/C12H13N3O5/c1-14(20-2)12(17)8-5-7-3-4-10(16)13-11(7)9(6-8)15(18)19/h5-6H,3-4H2,1-2H3,(H,13,16)
InChIKeyQBNRQFNJIJDMIS-UHFFFAOYSA-N
XLogP1.11
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methoxy-N-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-hydroxy-8-nitro-3,4-dihydro-1H-quinolin-2-one
CID 71376841
6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one
CID 51138330
N-methoxy-N-methyl-4-methylsulfanyl-3-nitrobenzamide
CID 18129571
8-bromo-N-methoxy-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 155102640
8-hydroxy-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 13051072
4-amino-N,N-dimethyl-3,5-dinitrobenzamide
CID 86098772
N-methoxy-N-methyl-2-nitrobenzamide
CID 4779158
8-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 11106499
N-methoxy-N-methyl-3-nitro-5-(pentafluoro-λ6-sulfanyl)benzamide
CID 58136777
3-[methyl-(6-nitro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propanoic acid
CID 122059567
7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 66881586
6-nitro-3,4-dihydro-1H-1,8-phenanthrolin-2-one
CID 166091414

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-methoxy-N-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 155103176) is N-methoxy-N-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is CON(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)NC(=O)CC2.
What is the InChIKey of N-methoxy-N-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is QBNRQFNJIJDMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5/c1-14(20-2)12(17)8-5-7-3-4-10(16)13-11(7)9(6-8)15(18)19/h5-6H,3-4H2,1-2H3,(H,13,16).
What are the key properties of N-methoxy-N-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-methoxy-N-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 279.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 155103176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).