N-methyl-8-nitroquinoline-2-carboxamide

C11H9N3O3 — CID 70694486

IUPACN-methyl-8-nitroquinoline-2-carboxamide
SMILESCNC(=O)c1ccc2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C11H9N3O3/c1-12-11(15)8-6-5-7-3-2-4-9(14(16)17)10(7)13-8/h2-6H,1H3,(H,12,15)
InChIKeyKEQQTZYEKLECDB-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.50
Rot. Bonds2

About N-methyl-8-nitroquinoline-2-carboxamide

N-methyl-8-nitroquinoline-2-carboxamide (PubChem CID 70694486) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is N-methyl-8-nitroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-methyl-8-nitroquinoline-2-carboxamide
PubChem CID70694486
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC NameN-methyl-8-nitroquinoline-2-carboxamide
SMILESCNC(=O)c1ccc2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C11H9N3O3/c1-12-11(15)8-6-5-7-3-2-4-9(14(16)17)10(7)13-8/h2-6H,1H3,(H,12,15)
InChIKeyKEQQTZYEKLECDB-UHFFFAOYSA-N
XLogP1.50
TPSA85.13 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 ≤ 51.50
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

8-tert-butyl-N-methylquinoline-2-carboxamide
CID 155427304
2-chloro-2-(4-nitrophenyl)-1-(8-nitroquinolin-2-yl)ethanone
CID 101401791
5-methoxy-N-methyl-6-nitropyridine-2-carboxamide
CID 171531875
N-methyl-6-[(2-nitrophenyl)methylamino]pyridazine-3-carboxamide
CID 79211634
2-(2-methyl-8-nitroquinolin-3-yl)acetic acid
CID 164563339
N-methyl-4-nitro-1H-benzimidazol-2-amine
CID 45077987
ethane;2-methoxy-N-methyl-3-nitrobenzamide
CID 143076658
1-N-methyl-3-nitrobenzene-1,2-dicarboxamide
CID 156773626
8-iodo-N-methyl-1,6-naphthyridine-2-carboxamide
CID 118669701
2-chloro-3-methyl-8-nitroquinoline
CID 86241531
5-nitroacridine-1-carboxylic acid
CID 141387922
N-methyl-7-nitroquinolin-8-amine
CID 131339088

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-nitroquinoline-2-carboxamide?
The IUPAC name of N-methyl-8-nitroquinoline-2-carboxamide (CID 70694486) is N-methyl-8-nitroquinoline-2-carboxamide.
What is the SMILES notation for N-methyl-8-nitroquinoline-2-carboxamide?
The canonical SMILES for N-methyl-8-nitroquinoline-2-carboxamide is CNC(=O)c1ccc2cccc([N+](=O)[O-])c2n1.
What is the InChIKey of N-methyl-8-nitroquinoline-2-carboxamide?
The InChIKey is KEQQTZYEKLECDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c1-12-11(15)8-6-5-7-3-2-4-9(14(16)17)10(7)13-8/h2-6H,1H3,(H,12,15).
What are the key properties of N-methyl-8-nitroquinoline-2-carboxamide?
N-methyl-8-nitroquinoline-2-carboxamide has a molecular weight of 231.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-nitroquinoline-2-carboxamide is sourced from PubChem (CID 70694486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).