N-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide

C16H18ClN3O — CID 115581912

IUPACN-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(Cl)c3cccnc23)CC1
InChIInChI=1S/C16H18ClN3O/c1-11-6-9-20(10-7-11)16(21)19-14-5-4-13(17)12-3-2-8-18-15(12)14/h2-5,8,11H,6-7,9-10H2,1H3,(H,19,21)
InChIKeyVQGGAQQOZHTFES-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.15
Rot. Bonds1

About N-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide

N-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide (PubChem CID 115581912) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide
PubChem CID115581912
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(Cl)c3cccnc23)CC1
InChIInChI=1S/C16H18ClN3O/c1-11-6-9-20(10-7-11)16(21)19-14-5-4-13(17)12-3-2-8-18-15(12)14/h2-5,8,11H,6-7,9-10H2,1H3,(H,19,21)
InChIKeyVQGGAQQOZHTFES-UHFFFAOYSA-N
XLogP4.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide
CID 116783798
1-(5-chloroquinolin-8-yl)-3-cyclopentylurea
CID 47201915
4-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 47041032
4-methyl-N-pyridin-2-ylpiperidine-1-carboxamide
CID 47266968
N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223020
N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 17262885
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
(2R)-N-(5-chloroquinolin-8-yl)piperidine-2-carboxamide
CID 104913187
1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122078081
N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 103767711
3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide
CID 65269986
(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide
CID 116785317

Frequently Asked Questions

What is the IUPAC name of N-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide (CID 115581912) is N-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2ccc(Cl)c3cccnc23)CC1.
What is the InChIKey of N-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide?
The InChIKey is VQGGAQQOZHTFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-6-9-20(10-7-11)16(21)19-14-5-4-13(17)12-3-2-8-18-15(12)14/h2-5,8,11H,6-7,9-10H2,1H3,(H,19,21).
What are the key properties of N-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide?
N-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 115581912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).