(8-chloroquinolin-2-yl)-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone

C20H24ClN3O3 — CID 164630959

IUPAC(8-chloroquinolin-2-yl)-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2cccc(Cl)c2n1)N1CC[C@H](N2CCC(O)CC2)[C@@H](O)C1
InChIInChI=1S/C20H24ClN3O3/c21-15-3-1-2-13-4-5-16(22-19(13)15)20(27)24-11-8-17(18(26)12-24)23-9-6-14(25)7-10-23/h1-5,14,17-18,25-26H,6-12H2/t17-,18-/m0/s1
InChIKeyYZXWZKZXIIOOSL-ROUUACIJSA-N
MW389.88 g/mol
LogP1.92
Rot. Bonds2

About (8-chloroquinolin-2-yl)-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone

(8-chloroquinolin-2-yl)-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 164630959) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is (8-chloroquinolin-2-yl)-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(8-chloroquinolin-2-yl)-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID164630959
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name(8-chloroquinolin-2-yl)-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2cccc(Cl)c2n1)N1CC[C@H](N2CCC(O)CC2)[C@@H](O)C1
InChIInChI=1S/C20H24ClN3O3/c21-15-3-1-2-13-4-5-16(22-19(13)15)20(27)24-11-8-17(18(26)12-24)23-9-6-14(25)7-10-23/h1-5,14,17-18,25-26H,6-12H2/t17-,18-/m0/s1
InChIKeyYZXWZKZXIIOOSL-ROUUACIJSA-N
XLogP1.92
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (8-chloroquinolin-2-yl)-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164693349
(8-chloroquinolin-2-yl)-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56757447
(3-hydroxypyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62917922
[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 75203887
(8-chloroquinolin-2-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 50963476
[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(1-methylindol-3-yl)methanone
CID 29088018
(8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 110487263
[1-(2-chlorophenyl)triazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561385
(3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63394911
[3-hydroxy-4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone
CID 54466721
(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
CID 62917957
4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid
CID 154249318

Frequently Asked Questions

What is the IUPAC name of (8-chloroquinolin-2-yl)-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (8-chloroquinolin-2-yl)-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (CID 164630959) is (8-chloroquinolin-2-yl)-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (8-chloroquinolin-2-yl)-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (8-chloroquinolin-2-yl)-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is O=C(c1ccc2cccc(Cl)c2n1)N1CC[C@H](N2CCC(O)CC2)[C@@H](O)C1.
What is the InChIKey of (8-chloroquinolin-2-yl)-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is YZXWZKZXIIOOSL-ROUUACIJSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c21-15-3-1-2-13-4-5-16(22-19(13)15)20(27)24-11-8-17(18(26)12-24)23-9-6-14(25)7-10-23/h1-5,14,17-18,25-26H,6-12H2/t17-,18-/m0/s1.
What are the key properties of (8-chloroquinolin-2-yl)-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
(8-chloroquinolin-2-yl)-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 389.88 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloroquinolin-2-yl)-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 164630959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).