(5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone

C16H18ClN3O — CID 119491888

IUPAC(5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2ccc(Cl)c3cccnc23)C1
InChIInChI=1S/C16H18ClN3O/c1-18-11-4-3-9-20(10-11)16(21)13-6-7-14(17)12-5-2-8-19-15(12)13/h2,5-8,11,18H,3-4,9-10H2,1H3
InChIKeyAXYUIEIWKRPRFR-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.71
Rot. Bonds2

About (5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone

(5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119491888) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is (5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119491888
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name(5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2ccc(Cl)c3cccnc23)C1
InChIInChI=1S/C16H18ClN3O/c1-18-11-4-3-9-20(10-11)16(21)13-6-7-14(17)12-5-2-8-19-15(12)13/h2,5-8,11,18H,3-4,9-10H2,1H3
InChIKeyAXYUIEIWKRPRFR-UHFFFAOYSA-N
XLogP2.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

azetidin-1-yl-(5-chloroquinolin-8-yl)methanone
CID 166196760
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone
CID 120818978
(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 107098081
(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535972
(3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 81265224
[2-(2,4-dichlorophenoxy)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119493762
5-chloro-N-cyclohexylquinoline-8-carboxamide
CID 37248042
(2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489697
(5-chloroquinolin-8-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 37026329
[3-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone
CID 136565552
1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882198
[3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone
CID 136565491

Frequently Asked Questions

What is the IUPAC name of (5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone (CID 119491888) is (5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2ccc(Cl)c3cccnc23)C1.
What is the InChIKey of (5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is AXYUIEIWKRPRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-18-11-4-3-9-20(10-11)16(21)13-6-7-14(17)12-5-2-8-19-15(12)13/h2,5-8,11,18H,3-4,9-10H2,1H3.
What are the key properties of (5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone?
(5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 303.79 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119491888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).