2-ethoxy-N-(2-methyl-6-nitroquinolin-4-yl)propanamide

C15H17N3O4 — CID 86793222

IUPAC2-ethoxy-N-(2-methyl-6-nitroquinolin-4-yl)propanamide
SMILESCCOC(C)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H17N3O4/c1-4-22-10(3)15(19)17-14-7-9(2)16-13-6-5-11(18(20)21)8-12(13)14/h5-8,10H,4H2,1-3H3,(H,16,17,19)
InChIKeyRCCXCMMQJZJONO-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.81
Rot. Bonds5

About 2-ethoxy-N-(2-methyl-6-nitroquinolin-4-yl)propanamide

2-ethoxy-N-(2-methyl-6-nitroquinolin-4-yl)propanamide (PubChem CID 86793222) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-ethoxy-N-(2-methyl-6-nitroquinolin-4-yl)propanamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-methyl-6-nitroquinolin-4-yl)propanamide
PubChem CID86793222
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-ethoxy-N-(2-methyl-6-nitroquinolin-4-yl)propanamide
SMILESCCOC(C)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H17N3O4/c1-4-22-10(3)15(19)17-14-7-9(2)16-13-6-5-11(18(20)21)8-12(13)14/h5-8,10H,4H2,1-3H3,(H,16,17,19)
InChIKeyRCCXCMMQJZJONO-UHFFFAOYSA-N
XLogP2.81
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.81
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'}

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Related Compounds

2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol
CID 75520155
N-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86793217
N-(2-methyl-6-nitroquinolin-4-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 75507851
N-(2-methyl-6-nitroquinolin-4-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 75507854
N-(2-methyl-6-nitroquinolin-4-yl)furan-3-carboxamide
CID 75507864
2-methyl-6-nitro-N-propylquinoline-4-carboxamide
CID 110489389
2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250
(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 719492
(2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 9236398
(2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 99951167
2-(2-methylbutanoylamino)-4-nitrobenzoic acid
CID 55177104
4-methoxy-2-methyl-6-nitroquinoline
CID 46708178

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-methyl-6-nitroquinolin-4-yl)propanamide?
The IUPAC name of 2-ethoxy-N-(2-methyl-6-nitroquinolin-4-yl)propanamide (CID 86793222) is 2-ethoxy-N-(2-methyl-6-nitroquinolin-4-yl)propanamide.
What is the SMILES notation for 2-ethoxy-N-(2-methyl-6-nitroquinolin-4-yl)propanamide?
The canonical SMILES for 2-ethoxy-N-(2-methyl-6-nitroquinolin-4-yl)propanamide is CCOC(C)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 2-ethoxy-N-(2-methyl-6-nitroquinolin-4-yl)propanamide?
The InChIKey is RCCXCMMQJZJONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-4-22-10(3)15(19)17-14-7-9(2)16-13-6-5-11(18(20)21)8-12(13)14/h5-8,10H,4H2,1-3H3,(H,16,17,19).
What are the key properties of 2-ethoxy-N-(2-methyl-6-nitroquinolin-4-yl)propanamide?
2-ethoxy-N-(2-methyl-6-nitroquinolin-4-yl)propanamide has a molecular weight of 303.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-methyl-6-nitroquinolin-4-yl)propanamide is sourced from PubChem (CID 86793222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).