(4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone

C16H17ClN2O2 — CID 99036740

IUPAC(4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)c2ccccc2n1)N1CCC[C@@H](CO)C1
InChIInChI=1S/C16H17ClN2O2/c17-13-8-15(18-14-6-2-1-5-12(13)14)16(21)19-7-3-4-11(9-19)10-20/h1-2,5-6,8,11,20H,3-4,7,9-10H2/t11-/m1/s1
InChIKeyUZFMRRXFERTYEB-LLVKDONJSA-N
MW304.78 g/mol
LogP2.73
Rot. Bonds2

About (4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone

(4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 99036740) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is (4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID99036740
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name(4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)c2ccccc2n1)N1CCC[C@@H](CO)C1
InChIInChI=1S/C16H17ClN2O2/c17-13-8-15(18-14-6-2-1-5-12(13)14)16(21)19-7-3-4-11(9-19)10-20/h1-2,5-6,8,11,20H,3-4,7,9-10H2/t11-/m1/s1
InChIKeyUZFMRRXFERTYEB-LLVKDONJSA-N
XLogP2.73
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

[(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 124594515
(4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957022
(4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 63376375
(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
(3-chloro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403203
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119
4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide
CID 63375737
(1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110886791
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 124628255
(4-chloroquinolin-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096876
4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide
CID 63376122

Frequently Asked Questions

What is the IUPAC name of (4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone (CID 99036740) is (4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1cc(Cl)c2ccccc2n1)N1CCC[C@@H](CO)C1.
What is the InChIKey of (4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is UZFMRRXFERTYEB-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-13-8-15(18-14-6-2-1-5-12(13)14)16(21)19-7-3-4-11(9-19)10-20/h1-2,5-6,8,11,20H,3-4,7,9-10H2/t11-/m1/s1.
What are the key properties of (4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone?
(4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 304.78 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 99036740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).