N-(2-methoxyphenyl)-1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxamide

C23H24N4O4 — CID 133436640

IUPACN-(2-methoxyphenyl)-1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(c2cc(C)nc3c([N+](=O)[O-])cccc23)CC1
InChIInChI=1S/C23H24N4O4/c1-15-14-20(17-6-5-8-19(27(29)30)22(17)24-15)26-12-10-16(11-13-26)23(28)25-18-7-3-4-9-21(18)31-2/h3-9,14,16H,10-13H2,1-2H3,(H,25,28)
InChIKeyOHUSLDKCSHBMMR-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.32
Rot. Bonds5

About N-(2-methoxyphenyl)-1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxamide

N-(2-methoxyphenyl)-1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxamide (PubChem CID 133436640) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxamide
PubChem CID133436640
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-(2-methoxyphenyl)-1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(c2cc(C)nc3c([N+](=O)[O-])cccc23)CC1
InChIInChI=1S/C23H24N4O4/c1-15-14-20(17-6-5-8-19(27(29)30)22(17)24-15)26-12-10-16(11-13-26)23(28)25-18-7-3-4-9-21(18)31-2/h3-9,14,16H,10-13H2,1-2H3,(H,25,28)
InChIKeyOHUSLDKCSHBMMR-UHFFFAOYSA-N
XLogP4.32
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

methyl 1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxylate
CID 75497619
(4-methoxyphenyl)-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]methanone
CID 133436464
1-(2-methyl-8-nitroquinolin-4-yl)azetidine-3-carboxylic acid
CID 122064463
cyclohexyl-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]methanone
CID 133436939
cyclopropyl-[4-(2-methyl-8-nitroquinolin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133499155
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-8-nitroquinoline
CID 133436232
1-(3-fluoro-4-methyl-5-nitrobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55777930
N,N-dimethyl-1-(2-methyl-8-nitroquinolin-4-yl)pyrrolidin-3-amine
CID 133437157
2-methyl-8-nitro-4-(4-pyrazol-1-ylpiperidin-1-yl)quinoline
CID 133436964
N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]propane-1-sulfonamide
CID 133436623
1-(2-fluorophenyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17152653
1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-1-one
CID 133437095

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxamide (CID 133436640) is N-(2-methoxyphenyl)-1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(c2cc(C)nc3c([N+](=O)[O-])cccc23)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxamide?
The InChIKey is OHUSLDKCSHBMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-15-14-20(17-6-5-8-19(27(29)30)22(17)24-15)26-12-10-16(11-13-26)23(28)25-18-7-3-4-9-21(18)31-2/h3-9,14,16H,10-13H2,1-2H3,(H,25,28).
What are the key properties of N-(2-methoxyphenyl)-1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxamide?
N-(2-methoxyphenyl)-1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 133436640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).