2-[(2-methyl-8-nitroquinolin-4-yl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one

C19H24N4O3 — CID 133437098

IUPAC2-[(2-methyl-8-nitroquinolin-4-yl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCc1cc(NC(C)C(=O)N2CCCCC2C)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C19H24N4O3/c1-12-11-16(15-8-6-9-17(23(25)26)18(15)20-12)21-14(3)19(24)22-10-5-4-7-13(22)2/h6,8-9,11,13-14H,4-5,7,10H2,1-3H3,(H,20,21)
InChIKeyWGBDYZNBUDKMMB-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.65
Rot. Bonds4

About 2-[(2-methyl-8-nitroquinolin-4-yl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one

2-[(2-methyl-8-nitroquinolin-4-yl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one (PubChem CID 133437098) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[(2-methyl-8-nitroquinolin-4-yl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[(2-methyl-8-nitroquinolin-4-yl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one
PubChem CID133437098
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-[(2-methyl-8-nitroquinolin-4-yl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCc1cc(NC(C)C(=O)N2CCCCC2C)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C19H24N4O3/c1-12-11-16(15-8-6-9-17(23(25)26)18(15)20-12)21-14(3)19(24)22-10-5-4-7-13(22)2/h6,8-9,11,13-14H,4-5,7,10H2,1-3H3,(H,20,21)
InChIKeyWGBDYZNBUDKMMB-UHFFFAOYSA-N
XLogP3.65
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.65
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-methyl-5-nitro-2-pyridinyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one
CID 133343540
4-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]-3-nitrobenzonitrile
CID 133285543
2-methyl-N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-8-nitroquinolin-4-amine
CID 133480727
1-(2-methyl-8-nitroquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058826
cyclohexyl-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]methanone
CID 133436939
1-(2-methyl-8-nitroquinolin-4-yl)azetidine-3-carboxylic acid
CID 122064463
2-[(2-methyl-8-nitroquinolin-4-yl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 133436969
1-N,1-N-dimethyl-3-N-(2-methyl-8-nitroquinolin-4-yl)butane-1,3-diamine
CID 133436966
methyl 1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxylate
CID 75497619
2-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-3-yl]propanamide
CID 133437068
1-(2-methyl-8-nitroquinolin-4-yl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 133436999
6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide
CID 97349074

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-8-nitroquinolin-4-yl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-[(2-methyl-8-nitroquinolin-4-yl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one (CID 133437098) is 2-[(2-methyl-8-nitroquinolin-4-yl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-[(2-methyl-8-nitroquinolin-4-yl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-[(2-methyl-8-nitroquinolin-4-yl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one is Cc1cc(NC(C)C(=O)N2CCCCC2C)c2cccc([N+](=O)[O-])c2n1.
What is the InChIKey of 2-[(2-methyl-8-nitroquinolin-4-yl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one?
The InChIKey is WGBDYZNBUDKMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12-11-16(15-8-6-9-17(23(25)26)18(15)20-12)21-14(3)19(24)22-10-5-4-7-13(22)2/h6,8-9,11,13-14H,4-5,7,10H2,1-3H3,(H,20,21).
What are the key properties of 2-[(2-methyl-8-nitroquinolin-4-yl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one?
2-[(2-methyl-8-nitroquinolin-4-yl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one has a molecular weight of 356.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-8-nitroquinolin-4-yl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 133437098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).