2-[methyl-(2-methyl-8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide

C16H20N4O3 — CID 133436322

IUPAC2-[methyl-(2-methyl-8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCc1cc(N(C)CC(=O)NC(C)C)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C16H20N4O3/c1-10(2)17-15(21)9-19(4)14-8-11(3)18-16-12(14)6-5-7-13(16)20(22)23/h5-8,10H,9H2,1-4H3,(H,17,21)
InChIKeyGCLYHTGMZLQJND-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.41
Rot. Bonds5

About 2-[methyl-(2-methyl-8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide

2-[methyl-(2-methyl-8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide (PubChem CID 133436322) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[methyl-(2-methyl-8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl-(2-methyl-8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide
PubChem CID133436322
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-[methyl-(2-methyl-8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCc1cc(N(C)CC(=O)NC(C)C)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C16H20N4O3/c1-10(2)17-15(21)9-19(4)14-8-11(3)18-16-12(14)6-5-7-13(16)20(22)23/h5-8,10H,9H2,1-4H3,(H,17,21)
InChIKeyGCLYHTGMZLQJND-UHFFFAOYSA-N
XLogP2.41
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.41
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

2,4-dimethyl-8-nitroquinoline
CID 608736
N,2-dimethyl-8-nitro-N-(oxan-2-ylmethyl)quinolin-4-amine
CID 133436864
1-N,1-N-dimethyl-3-N-(2-methyl-8-nitroquinolin-4-yl)butane-1,3-diamine
CID 133436966
4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-nitrobenzoic acid
CID 45320146
N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-8-nitroquinolin-4-amine
CID 133436364
2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80900074
1-(2-methyl-8-nitroquinolin-4-yl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 133436999
2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 83066709
2-hydroxy-N-methyl-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 103746406
2-(dimethylamino)-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]ethanone
CID 133436628
N-benzyl-3-[(2-methyl-8-nitroquinolin-4-yl)amino]propanamide
CID 133437017
2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide
CID 114041230

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-methyl-8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl-(2-methyl-8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide (CID 133436322) is 2-[methyl-(2-methyl-8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl-(2-methyl-8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl-(2-methyl-8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide is Cc1cc(N(C)CC(=O)NC(C)C)c2cccc([N+](=O)[O-])c2n1.
What is the InChIKey of 2-[methyl-(2-methyl-8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is GCLYHTGMZLQJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10(2)17-15(21)9-19(4)14-8-11(3)18-16-12(14)6-5-7-13(16)20(22)23/h5-8,10H,9H2,1-4H3,(H,17,21).
What are the key properties of 2-[methyl-(2-methyl-8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide?
2-[methyl-(2-methyl-8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 316.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methyl-8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 133436322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).