(6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone

C17H19ClN2O3 — CID 72911039

IUPAC(6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC[C@](C)(O)[C@@H](O)C2)c2cc(Cl)ccc2n1
InChIInChI=1S/C17H19ClN2O3/c1-10-7-13(12-8-11(18)3-4-14(12)19-10)16(22)20-6-5-17(2,23)15(21)9-20/h3-4,7-8,15,21,23H,5-6,9H2,1-2H3/t15-,17-/m0/s1
InChIKeyMTOJKPIKUHURFH-RDJZCZTQSA-N
MW334.80 g/mol
LogP2.15
Rot. Bonds1

About (6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone

(6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone (PubChem CID 72911039) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is (6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
PubChem CID72911039
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name(6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC[C@](C)(O)[C@@H](O)C2)c2cc(Cl)ccc2n1
InChIInChI=1S/C17H19ClN2O3/c1-10-7-13(12-8-11(18)3-4-14(12)19-10)16(22)20-6-5-17(2,23)15(21)9-20/h3-4,7-8,15,21,23H,5-6,9H2,1-2H3/t15-,17-/m0/s1
InChIKeyMTOJKPIKUHURFH-RDJZCZTQSA-N
XLogP2.15
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

(5-chloro-2-fluorophenyl)-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72912955
(6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone
CID 82449120
N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide
CID 99933106
2-(6-chloro-2-methylquinoline-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 138810347
(6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97138571
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone
CID 133124655
1-(6-bromo-2-methylquinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528094
[(2R)-2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone
CID 97433787
[2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone
CID 72838827
2H-benzotriazol-5-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72925092
(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082
(6-chloro-2-methylquinolin-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 70742167

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone?
The IUPAC name of (6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone (CID 72911039) is (6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone?
The canonical SMILES for (6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone is Cc1cc(C(=O)N2CC[C@](C)(O)[C@@H](O)C2)c2cc(Cl)ccc2n1.
What is the InChIKey of (6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone?
The InChIKey is MTOJKPIKUHURFH-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-10-7-13(12-8-11(18)3-4-14(12)19-10)16(22)20-6-5-17(2,23)15(21)9-20/h3-4,7-8,15,21,23H,5-6,9H2,1-2H3/t15-,17-/m0/s1.
What are the key properties of (6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone?
(6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone has a molecular weight of 334.80 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 72911039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).