4-(6-methoxy-2-methylquinoline-3-carbonyl)piperazin-2-one

C16H17N3O3 — CID 35787500

IUPAC4-(6-methoxy-2-methylquinoline-3-carbonyl)piperazin-2-one
SMILESCOc1ccc2nc(C)c(C(=O)N3CCNC(=O)C3)cc2c1
InChIInChI=1S/C16H17N3O3/c1-10-13(16(21)19-6-5-17-15(20)9-19)8-11-7-12(22-2)3-4-14(11)18-10/h3-4,7-8H,5-6,9H2,1-2H3,(H,17,20)
InChIKeyCPZLZCDDFMPRRN-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.12
Rot. Bonds2

About 4-(6-methoxy-2-methylquinoline-3-carbonyl)piperazin-2-one

4-(6-methoxy-2-methylquinoline-3-carbonyl)piperazin-2-one (PubChem CID 35787500) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-(6-methoxy-2-methylquinoline-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(6-methoxy-2-methylquinoline-3-carbonyl)piperazin-2-one
PubChem CID35787500
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name4-(6-methoxy-2-methylquinoline-3-carbonyl)piperazin-2-one
SMILESCOc1ccc2nc(C)c(C(=O)N3CCNC(=O)C3)cc2c1
InChIInChI=1S/C16H17N3O3/c1-10-13(16(21)19-6-5-17-15(20)9-19)8-11-7-12(22-2)3-4-14(11)18-10/h3-4,7-8H,5-6,9H2,1-2H3,(H,17,20)
InChIKeyCPZLZCDDFMPRRN-UHFFFAOYSA-N
XLogP1.12
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one
CID 60718067
N-[1-(6-methoxy-2-methylquinoline-3-carbonyl)piperidin-4-yl]benzamide
CID 34424258
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-3-yl)methanone
CID 43037207
4-(2,5-dimethylbenzoyl)piperazin-2-one
CID 31096061
4-(3-methoxypyridine-4-carbonyl)piperazin-2-one
CID 105063980
[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(6-methoxy-2-methylquinolin-3-yl)methanone
CID 36939720
4-(2,3,4-trimethoxybenzoyl)piperazin-2-one
CID 31096069
1,4-diazepan-1-yl-(2,6-dimethylquinolin-3-yl)methanone
CID 46996879
(6-methoxy-2-methylquinolin-3-yl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47029898
4-(2-amino-5-methylbenzoyl)piperazin-2-one
CID 62510710
(2,6-dimethylquinolin-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47015619
(2,6-dimethylmorpholin-4-yl)-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 42924708

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-2-methylquinoline-3-carbonyl)piperazin-2-one?
The IUPAC name of 4-(6-methoxy-2-methylquinoline-3-carbonyl)piperazin-2-one (CID 35787500) is 4-(6-methoxy-2-methylquinoline-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(6-methoxy-2-methylquinoline-3-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(6-methoxy-2-methylquinoline-3-carbonyl)piperazin-2-one is COc1ccc2nc(C)c(C(=O)N3CCNC(=O)C3)cc2c1.
What is the InChIKey of 4-(6-methoxy-2-methylquinoline-3-carbonyl)piperazin-2-one?
The InChIKey is CPZLZCDDFMPRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-13(16(21)19-6-5-17-15(20)9-19)8-11-7-12(22-2)3-4-14(11)18-10/h3-4,7-8H,5-6,9H2,1-2H3,(H,17,20).
What are the key properties of 4-(6-methoxy-2-methylquinoline-3-carbonyl)piperazin-2-one?
4-(6-methoxy-2-methylquinoline-3-carbonyl)piperazin-2-one has a molecular weight of 299.33 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-2-methylquinoline-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 35787500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).