2-methyl-6-nitro-N-propylquinoline-4-carboxamide

C14H15N3O3 — CID 110489389

IUPAC2-methyl-6-nitro-N-propylquinoline-4-carboxamide
SMILESCCCNC(=O)c1cc(C)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C14H15N3O3/c1-3-6-15-14(18)12-7-9(2)16-13-5-4-10(17(19)20)8-11(12)13/h4-5,7-8H,3,6H2,1-2H3,(H,15,18)
InChIKeyKXUZYIFWUFQGDY-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.59
Rot. Bonds4

About 2-methyl-6-nitro-N-propylquinoline-4-carboxamide

2-methyl-6-nitro-N-propylquinoline-4-carboxamide (PubChem CID 110489389) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-methyl-6-nitro-N-propylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-nitro-N-propylquinoline-4-carboxamide
PubChem CID110489389
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-methyl-6-nitro-N-propylquinoline-4-carboxamide
SMILESCCCNC(=O)c1cc(C)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C14H15N3O3/c1-3-6-15-14(18)12-7-9(2)16-13-5-4-10(17(19)20)8-11(12)13/h4-5,7-8H,3,6H2,1-2H3,(H,15,18)
InChIKeyKXUZYIFWUFQGDY-UHFFFAOYSA-N
XLogP2.59
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.59
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-nitroquinoline-4-carboxamide
CID 22397065
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
6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide
CID 108789696
2-ethoxy-N-(2-methyl-6-nitroquinolin-4-yl)propanamide
CID 86793222
6-amino-N-ethyl-2-methylquinoline-4-carboxamide
CID 110489395
2-methyl-6-nitroquinolin-4-amine
CID 11735841
6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 46291474
2-(butylcarbamoyl)-5-nitrobenzoic acid
CID 110839262
6-amino-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 110489408
4-methoxy-2-methyl-6-nitroquinoline
CID 46708178

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-nitro-N-propylquinoline-4-carboxamide?
The IUPAC name of 2-methyl-6-nitro-N-propylquinoline-4-carboxamide (CID 110489389) is 2-methyl-6-nitro-N-propylquinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-6-nitro-N-propylquinoline-4-carboxamide?
The canonical SMILES for 2-methyl-6-nitro-N-propylquinoline-4-carboxamide is CCCNC(=O)c1cc(C)nc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 2-methyl-6-nitro-N-propylquinoline-4-carboxamide?
The InChIKey is KXUZYIFWUFQGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-6-15-14(18)12-7-9(2)16-13-5-4-10(17(19)20)8-11(12)13/h4-5,7-8H,3,6H2,1-2H3,(H,15,18).
What are the key properties of 2-methyl-6-nitro-N-propylquinoline-4-carboxamide?
2-methyl-6-nitro-N-propylquinoline-4-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-nitro-N-propylquinoline-4-carboxamide is sourced from PubChem (CID 110489389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).