(2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

C16H17ClN2O2 — CID 114678213

IUPAC(2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)nc3ccccc23)CCC1O
InChIInChI=1S/C16H17ClN2O2/c1-10-9-19(7-6-14(10)20)16(21)12-8-15(17)18-13-5-3-2-4-11(12)13/h2-5,8,10,14,20H,6-7,9H2,1H3
InChIKeyYAIDXFWPQGBUAQ-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.73
Rot. Bonds1

About (2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

(2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 114678213) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is (2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID114678213
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name(2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)nc3ccccc23)CCC1O
InChIInChI=1S/C16H17ClN2O2/c1-10-9-19(7-6-14(10)20)16(21)12-8-15(17)18-13-5-3-2-4-11(12)13/h2-5,8,10,14,20H,6-7,9H2,1H3
InChIKeyYAIDXFWPQGBUAQ-UHFFFAOYSA-N
XLogP2.73
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 43319697
(2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 104920816
(4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119592520
4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile
CID 78945462
(4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957022
(3,4-dimethylpyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
CID 79179423
(2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 8010507
(2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 43430898
(2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973317
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119934500
2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone
CID 61072408
[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550

Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (CID 114678213) is (2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is CC1CN(C(=O)c2cc(Cl)nc3ccccc23)CCC1O.
What is the InChIKey of (2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is YAIDXFWPQGBUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-9-19(7-6-14(10)20)16(21)12-8-15(17)18-13-5-3-2-4-11(12)13/h2-5,8,10,14,20H,6-7,9H2,1H3.
What are the key properties of (2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
(2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 304.78 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114678213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).