(3S)-1-(5-chloro-8-methylquinolin-2-yl)-3-hydroxypiperidine-3-carboxamide

C16H18ClN3O2 — CID 129483234

IUPAC(3S)-1-(5-chloro-8-methylquinolin-2-yl)-3-hydroxypiperidine-3-carboxamide
SMILESCc1ccc(Cl)c2ccc(N3CCC[C@@](O)(C(N)=O)C3)nc12
InChIInChI=1S/C16H18ClN3O2/c1-10-3-5-12(17)11-4-6-13(19-14(10)11)20-8-2-7-16(22,9-20)15(18)21/h3-6,22H,2,7-9H2,1H3,(H2,18,21)/t16-/m0/s1
InChIKeyMBZWJKWEOQCDIR-INIZCTEOSA-N
MW319.79 g/mol
LogP2.01
Rot. Bonds2

About (3S)-1-(5-chloro-8-methylquinolin-2-yl)-3-hydroxypiperidine-3-carboxamide

(3S)-1-(5-chloro-8-methylquinolin-2-yl)-3-hydroxypiperidine-3-carboxamide (PubChem CID 129483234) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is (3S)-1-(5-chloro-8-methylquinolin-2-yl)-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(5-chloro-8-methylquinolin-2-yl)-3-hydroxypiperidine-3-carboxamide
PubChem CID129483234
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name(3S)-1-(5-chloro-8-methylquinolin-2-yl)-3-hydroxypiperidine-3-carboxamide
SMILESCc1ccc(Cl)c2ccc(N3CCC[C@@](O)(C(N)=O)C3)nc12
InChIInChI=1S/C16H18ClN3O2/c1-10-3-5-12(17)11-4-6-13(19-14(10)11)20-8-2-7-16(22,9-20)15(18)21/h3-6,22H,2,7-9H2,1H3,(H2,18,21)/t16-/m0/s1
InChIKeyMBZWJKWEOQCDIR-INIZCTEOSA-N
XLogP2.01
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-chloro-8-methylquinolin-2-yl)piperazin-1-yl]acetamide
CID 75443207
3-hydroxy-1-(2-methyl-4-pyridinyl)piperidine-3-carboxamide
CID 128964534
1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964411
(3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 129483783
(3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
CID 129323035
1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
CID 128964566
[(2R)-1-(5-chloro-8-methylquinolin-2-yl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 97257203
(8aR)-7-(5-chloro-8-methylquinolin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 97340632
(3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129491751
(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide
CID 100647448
1-(4-chloro-2-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964687
(3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
CID 129483763

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-chloro-8-methylquinolin-2-yl)-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(5-chloro-8-methylquinolin-2-yl)-3-hydroxypiperidine-3-carboxamide (CID 129483234) is (3S)-1-(5-chloro-8-methylquinolin-2-yl)-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(5-chloro-8-methylquinolin-2-yl)-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(5-chloro-8-methylquinolin-2-yl)-3-hydroxypiperidine-3-carboxamide is Cc1ccc(Cl)c2ccc(N3CCC[C@@](O)(C(N)=O)C3)nc12.
What is the InChIKey of (3S)-1-(5-chloro-8-methylquinolin-2-yl)-3-hydroxypiperidine-3-carboxamide?
The InChIKey is MBZWJKWEOQCDIR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-10-3-5-12(17)11-4-6-13(19-14(10)11)20-8-2-7-16(22,9-20)15(18)21/h3-6,22H,2,7-9H2,1H3,(H2,18,21)/t16-/m0/s1.
What are the key properties of (3S)-1-(5-chloro-8-methylquinolin-2-yl)-3-hydroxypiperidine-3-carboxamide?
(3S)-1-(5-chloro-8-methylquinolin-2-yl)-3-hydroxypiperidine-3-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-chloro-8-methylquinolin-2-yl)-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 129483234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).