6-chloro-N-(2-methylpiperidin-3-yl)quinoline-8-carboxamide

C16H18ClN3O — CID 120576271

IUPAC6-chloro-N-(2-methylpiperidin-3-yl)quinoline-8-carboxamide
SMILESCC1NCCCC1NC(=O)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C16H18ClN3O/c1-10-14(5-3-6-18-10)20-16(21)13-9-12(17)8-11-4-2-7-19-15(11)13/h2,4,7-10,14,18H,3,5-6H2,1H3,(H,20,21)
InChIKeyKQLFNHMWPVDRBT-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.76
Rot. Bonds2

About 6-chloro-N-(2-methylpiperidin-3-yl)quinoline-8-carboxamide

6-chloro-N-(2-methylpiperidin-3-yl)quinoline-8-carboxamide (PubChem CID 120576271) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 6-chloro-N-(2-methylpiperidin-3-yl)quinoline-8-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-methylpiperidin-3-yl)quinoline-8-carboxamide
PubChem CID120576271
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name6-chloro-N-(2-methylpiperidin-3-yl)quinoline-8-carboxamide
SMILESCC1NCCCC1NC(=O)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C16H18ClN3O/c1-10-14(5-3-6-18-10)20-16(21)13-9-12(17)8-11-4-2-7-19-15(11)13/h2,4,7-10,14,18H,3,5-6H2,1H3,(H,20,21)
InChIKeyKQLFNHMWPVDRBT-UHFFFAOYSA-N
XLogP2.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-piperidin-4-ylquinoline-8-carboxamide
CID 119386656
N-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide
CID 119455967
2-bromo-4-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 106813439
5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 106813444
N-(4-aminocyclohexyl)-6-chloroquinoline-8-carboxamide;dihydrochloride
CID 119475262
N-(2-methylpiperidin-3-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide;dihydrochloride
CID 120576232
N-(2-methylpiperidin-3-yl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 120577474
5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide
CID 120576888
6-chloro-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]quinoline-8-carboxamide
CID 55905622
5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120575162
3-chloro-2-methyl-N-(2-methylpiperidin-3-yl)benzamide
CID 107098369
2,5-dichloro-N-(2-methylpiperidin-3-yl)thiophene-3-carboxamide
CID 106813442

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methylpiperidin-3-yl)quinoline-8-carboxamide?
The IUPAC name of 6-chloro-N-(2-methylpiperidin-3-yl)quinoline-8-carboxamide (CID 120576271) is 6-chloro-N-(2-methylpiperidin-3-yl)quinoline-8-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-methylpiperidin-3-yl)quinoline-8-carboxamide?
The canonical SMILES for 6-chloro-N-(2-methylpiperidin-3-yl)quinoline-8-carboxamide is CC1NCCCC1NC(=O)c1cc(Cl)cc2cccnc12.
What is the InChIKey of 6-chloro-N-(2-methylpiperidin-3-yl)quinoline-8-carboxamide?
The InChIKey is KQLFNHMWPVDRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10-14(5-3-6-18-10)20-16(21)13-9-12(17)8-11-4-2-7-19-15(11)13/h2,4,7-10,14,18H,3,5-6H2,1H3,(H,20,21).
What are the key properties of 6-chloro-N-(2-methylpiperidin-3-yl)quinoline-8-carboxamide?
6-chloro-N-(2-methylpiperidin-3-yl)quinoline-8-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methylpiperidin-3-yl)quinoline-8-carboxamide is sourced from PubChem (CID 120576271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).