N-butyl-1-(6-chloroquinoline-8-carbonyl)-N-methylpiperidine-4-carboxamide

C21H26ClN3O2 — CID 55950411

IUPACN-butyl-1-(6-chloroquinoline-8-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)c2cc(Cl)cc3cccnc23)CC1
InChIInChI=1S/C21H26ClN3O2/c1-3-4-10-24(2)20(26)15-7-11-25(12-8-15)21(27)18-14-17(22)13-16-6-5-9-23-19(16)18/h5-6,9,13-15H,3-4,7-8,10-12H2,1-2H3
InChIKeyPEACMJBCKGIBKO-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.00
Rot. Bonds5

About N-butyl-1-(6-chloroquinoline-8-carbonyl)-N-methylpiperidine-4-carboxamide

N-butyl-1-(6-chloroquinoline-8-carbonyl)-N-methylpiperidine-4-carboxamide (PubChem CID 55950411) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-butyl-1-(6-chloroquinoline-8-carbonyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(6-chloroquinoline-8-carbonyl)-N-methylpiperidine-4-carboxamide
PubChem CID55950411
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-butyl-1-(6-chloroquinoline-8-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)c2cc(Cl)cc3cccnc23)CC1
InChIInChI=1S/C21H26ClN3O2/c1-3-4-10-24(2)20(26)15-7-11-25(12-8-15)21(27)18-14-17(22)13-16-6-5-9-23-19(16)18/h5-6,9,13-15H,3-4,7-8,10-12H2,1-2H3
InChIKeyPEACMJBCKGIBKO-UHFFFAOYSA-N
XLogP4.00
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610671
N-butyl-1-[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-N-methylpiperidine-4-carboxamide
CID 55949770
N-butyl-N-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 55862307
2-[4-(6-chloroquinoline-8-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 55871061
6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119181833
(6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 51107660
(4aR,8aS)-6-(6-chloroquinoline-8-carbonyl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 166294355
N-butyl-N-methyl-1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxamide
CID 55980139
N-butyl-1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-methylpiperidine-4-carboxamide
CID 55860372
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(6-chloroquinolin-8-yl)methanone;dihydrochloride
CID 120658469
N-butyl-N-methyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 20892793
N-butyl-1-(1,3-dimethyl-2-oxoimidazole-4-carbonyl)-N-methylpiperidine-4-carboxamide
CID 146109340

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(6-chloroquinoline-8-carbonyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(6-chloroquinoline-8-carbonyl)-N-methylpiperidine-4-carboxamide (CID 55950411) is N-butyl-1-(6-chloroquinoline-8-carbonyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(6-chloroquinoline-8-carbonyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(6-chloroquinoline-8-carbonyl)-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)c2cc(Cl)cc3cccnc23)CC1.
What is the InChIKey of N-butyl-1-(6-chloroquinoline-8-carbonyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is PEACMJBCKGIBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-3-4-10-24(2)20(26)15-7-11-25(12-8-15)21(27)18-14-17(22)13-16-6-5-9-23-19(16)18/h5-6,9,13-15H,3-4,7-8,10-12H2,1-2H3.
What are the key properties of N-butyl-1-(6-chloroquinoline-8-carbonyl)-N-methylpiperidine-4-carboxamide?
N-butyl-1-(6-chloroquinoline-8-carbonyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 387.91 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(6-chloroquinoline-8-carbonyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55950411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).