(6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone

C20H25ClN2O2 — CID 97138571

IUPAC(6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCC[C@H]1CCCN(C(=O)c2cc(C)nc3ccc(Cl)cc23)C1
InChIInChI=1S/C20H25ClN2O2/c1-14-11-18(17-12-16(21)7-8-19(17)22-14)20(24)23-9-3-5-15(13-23)6-4-10-25-2/h7-8,11-12,15H,3-6,9-10,13H2,1-2H3/t15-/m1/s1
InChIKeyCBPRYPXEBPGIEF-OAHLLOKOSA-N
MW360.89 g/mol
LogP4.48
Rot. Bonds5

About (6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone

(6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone (PubChem CID 97138571) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is (6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone
PubChem CID97138571
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name(6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCC[C@H]1CCCN(C(=O)c2cc(C)nc3ccc(Cl)cc23)C1
InChIInChI=1S/C20H25ClN2O2/c1-14-11-18(17-12-16(21)7-8-19(17)22-14)20(24)23-9-3-5-15(13-23)6-4-10-25-2/h7-8,11-12,15H,3-6,9-10,13H2,1-2H3/t15-/m1/s1
InChIKeyCBPRYPXEBPGIEF-OAHLLOKOSA-N
XLogP4.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide
CID 99933106
[3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 120727676
(3-chloro-4-fluorophenyl)-[3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70783009
(5-fluoro-2-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96572024
(6-bromo-2-methylquinolin-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124684515
[(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone
CID 124593306
(2-chloro-5-pyrazol-1-ylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97134012
(6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72911039
(6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone
CID 82449120
[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)methanone
CID 97152529
[(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

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone?
The IUPAC name of (6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone (CID 97138571) is (6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone is COCCC[C@H]1CCCN(C(=O)c2cc(C)nc3ccc(Cl)cc23)C1.
What is the InChIKey of (6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone?
The InChIKey is CBPRYPXEBPGIEF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-14-11-18(17-12-16(21)7-8-19(17)22-14)20(24)23-9-3-5-15(13-23)6-4-10-25-2/h7-8,11-12,15H,3-6,9-10,13H2,1-2H3/t15-/m1/s1.
What are the key properties of (6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone?
(6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone has a molecular weight of 360.89 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97138571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).