2-methyl-6-nitroquinoline-4-carboxamide

C11H9N3O3 — CID 22397065

IUPAC2-methyl-6-nitroquinoline-4-carboxamide
SMILESCc1cc(C(N)=O)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C11H9N3O3/c1-6-4-9(11(12)15)8-5-7(14(16)17)2-3-10(8)13-6/h2-5H,1H3,(H2,12,15)
InChIKeyJVEFHGYHKPYBAD-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.55
Rot. Bonds2

About 2-methyl-6-nitroquinoline-4-carboxamide

2-methyl-6-nitroquinoline-4-carboxamide (PubChem CID 22397065) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 2-methyl-6-nitroquinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-nitroquinoline-4-carboxamide
PubChem CID22397065
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name2-methyl-6-nitroquinoline-4-carboxamide
SMILESCc1cc(C(N)=O)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C11H9N3O3/c1-6-4-9(11(12)15)8-5-7(14(16)17)2-3-10(8)13-6/h2-5H,1H3,(H2,12,15)
InChIKeyJVEFHGYHKPYBAD-UHFFFAOYSA-N
XLogP1.55
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.55
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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Related Compounds

2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250
2-methyl-6-nitroquinolin-4-amine
CID 11735841
2-methyl-6-nitro-N-propylquinoline-4-carboxamide
CID 110489389
4-methoxy-2-methyl-6-nitroquinoline
CID 46708178
6-fluoro-N-(2-hydroxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide
CID 108789694
6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide
CID 108802569
2-(4-hydroxy-2-oxochromen-3-yl)-6-nitroquinoline-4-carboxamide
CID 137185746
6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide
CID 108789696
2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol
CID 75520155
N-(2-methyl-6-nitroquinolin-4-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 75507851
2,6-dimethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]quinoline-4-carboxamide
CID 29195167
N-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86793217

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-nitroquinoline-4-carboxamide?
The IUPAC name of 2-methyl-6-nitroquinoline-4-carboxamide (CID 22397065) is 2-methyl-6-nitroquinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-6-nitroquinoline-4-carboxamide?
The canonical SMILES for 2-methyl-6-nitroquinoline-4-carboxamide is Cc1cc(C(N)=O)c2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of 2-methyl-6-nitroquinoline-4-carboxamide?
The InChIKey is JVEFHGYHKPYBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c1-6-4-9(11(12)15)8-5-7(14(16)17)2-3-10(8)13-6/h2-5H,1H3,(H2,12,15).
What are the key properties of 2-methyl-6-nitroquinoline-4-carboxamide?
2-methyl-6-nitroquinoline-4-carboxamide has a molecular weight of 231.21 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-nitroquinoline-4-carboxamide is sourced from PubChem (CID 22397065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).