[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone

C18H23N3O2 — CID 124590384

IUPAC[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone
SMILESCOc1ccc2nc(C)cc(C(=O)N3C[C@@H](C)N[C@@H](C)C3)c2c1
InChIInChI=1S/C18H23N3O2/c1-11-7-16(15-8-14(23-4)5-6-17(15)20-11)18(22)21-9-12(2)19-13(3)10-21/h5-8,12-13,19H,9-10H2,1-4H3/t12-,13+
InChIKeyOKAFMVAUMJRPGK-BETUJISGSA-N
MW313.40 g/mol
LogP2.37
Rot. Bonds2

About [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone

[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone (PubChem CID 124590384) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone
PubChem CID124590384
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone
SMILESCOc1ccc2nc(C)cc(C(=O)N3C[C@@H](C)N[C@@H](C)C3)c2c1
InChIInChI=1S/C18H23N3O2/c1-11-7-16(15-8-14(23-4)5-6-17(15)20-11)18(22)21-9-12(2)19-13(3)10-21/h5-8,12-13,19H,9-10H2,1-4H3/t12-,13+
InChIKeyOKAFMVAUMJRPGK-BETUJISGSA-N
XLogP2.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone with MolForge

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Related Compounds

(4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone
CID 111459532
(2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 55904206
methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82667452
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-4-yl)methanone
CID 126438254
(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone;dihydrochloride
CID 75469406
cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 75422217
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
(6-bromo-2-methylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635649
(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
(3S,4S)-4-methyl-1-(2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952992

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone?
The IUPAC name of [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone (CID 124590384) is [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone.
What is the SMILES notation for [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone?
The canonical SMILES for [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone is COc1ccc2nc(C)cc(C(=O)N3C[C@@H](C)N[C@@H](C)C3)c2c1.
What is the InChIKey of [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone?
The InChIKey is OKAFMVAUMJRPGK-BETUJISGSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-11-7-16(15-8-14(23-4)5-6-17(15)20-11)18(22)21-9-12(2)19-13(3)10-21/h5-8,12-13,19H,9-10H2,1-4H3/t12-,13+.
What are the key properties of [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone?
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 124590384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).