2-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-3-yl]propanamide

C19H24N4O3 — CID 133437068

IUPAC2-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-3-yl]propanamide
SMILESCc1cc(N2CCCC(NC(=O)C(C)C)C2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C19H24N4O3/c1-12(2)19(24)21-14-6-5-9-22(11-14)17-10-13(3)20-18-15(17)7-4-8-16(18)23(25)26/h4,7-8,10,12,14H,5-6,9,11H2,1-3H3,(H,21,24)
InChIKeyXACQQUWIHCQSDV-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.19
Rot. Bonds4

About 2-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-3-yl]propanamide

2-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-3-yl]propanamide (PubChem CID 133437068) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-3-yl]propanamide
PubChem CID133437068
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-3-yl]propanamide
SMILESCc1cc(N2CCCC(NC(=O)C(C)C)C2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C19H24N4O3/c1-12(2)19(24)21-14-6-5-9-22(11-14)17-10-13(3)20-18-15(17)7-4-8-16(18)23(25)26/h4,7-8,10,12,14H,5-6,9,11H2,1-3H3,(H,21,24)
InChIKeyXACQQUWIHCQSDV-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
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

1-(2-methyl-8-nitroquinolin-4-yl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 133436999
1-(2-methyl-8-nitroquinolin-4-yl)azetidine-3-carboxylic acid
CID 122064463
1-(2-methyl-8-nitroquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058826
N,N-dimethyl-1-(2-methyl-8-nitroquinolin-4-yl)pyrrolidin-3-amine
CID 133437157
methyl 1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxylate
CID 75497619
cyclopropyl-[4-(2-methyl-8-nitroquinolin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133499155
cyclohexyl-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]methanone
CID 133436939
2-methyl-8-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline
CID 133436763
N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]propane-1-sulfonamide
CID 133436623
1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-1-one
CID 133437095
3-methyl-1-(2-methyl-8-nitroquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052514
(4-methoxyphenyl)-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]methanone
CID 133436464

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-3-yl]propanamide (CID 133437068) is 2-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-3-yl]propanamide is Cc1cc(N2CCCC(NC(=O)C(C)C)C2)c2cccc([N+](=O)[O-])c2n1.
What is the InChIKey of 2-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-3-yl]propanamide?
The InChIKey is XACQQUWIHCQSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12(2)19(24)21-14-6-5-9-22(11-14)17-10-13(3)20-18-15(17)7-4-8-16(18)23(25)26/h4,7-8,10,12,14H,5-6,9,11H2,1-3H3,(H,21,24).
What are the key properties of 2-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-3-yl]propanamide?
2-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-3-yl]propanamide has a molecular weight of 356.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 133437068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).