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

C16H17ClN2O2 — CID 102957022

IUPAC(4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Cl)c3ccccc3n2)CC1O
InChIInChI=1S/C16H17ClN2O2/c1-10-6-7-19(9-15(10)20)16(21)14-8-12(17)11-4-2-3-5-13(11)18-14/h2-5,8,10,15,20H,6-7,9H2,1H3
InChIKeyCVGFQZABEMBWPS-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.73
Rot. Bonds1

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

(4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102957022) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is (4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID102957022
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name(4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Cl)c3ccccc3n2)CC1O
InChIInChI=1S/C16H17ClN2O2/c1-10-6-7-19(9-15(10)20)16(21)14-8-12(17)11-4-2-3-5-13(11)18-14/h2-5,8,10,15,20H,6-7,9H2,1H3
InChIKeyCVGFQZABEMBWPS-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

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Related Compounds

(4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone
CID 167993187
(4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 63376375
(4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 99036740
(4-chloroquinolin-2-yl)-(2-ethylmorpholin-4-yl)methanone
CID 63375773
(4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408574
(4-chloroquinolin-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096876
4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid
CID 102958619
2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one
CID 136911292
(4-hydrazinylquinolin-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 63375065
(2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678213
[4-(ethylamino)quinolin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 63375602
(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348347

Frequently Asked Questions

What is the IUPAC name of (4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (CID 102957022) is (4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(Cl)c3ccccc3n2)CC1O.
What is the InChIKey of (4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is CVGFQZABEMBWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-6-7-19(9-15(10)20)16(21)14-8-12(17)11-4-2-3-5-13(11)18-14/h2-5,8,10,15,20H,6-7,9H2,1H3.
What are the key properties of (4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
(4-chloroquinolin-2-yl)-(3-hydroxy-4-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 (4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102957022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).