[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone

C22H23N3O3S — CID 55977388

IUPAC[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCN(C(=O)c4ccc(C)s4)CC3)c(C)nc2c1
InChIInChI=1S/C22H23N3O3S/c1-14-4-7-20(29-14)22(27)25-10-8-24(9-11-25)21(26)18-12-16-5-6-17(28-3)13-19(16)23-15(18)2/h4-7,12-13H,8-11H2,1-3H3
InChIKeyIVYBBXLTNZLYFV-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.52
Rot. Bonds3

About [4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone

[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 55977388) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is [4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID55977388
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCN(C(=O)c4ccc(C)s4)CC3)c(C)nc2c1
InChIInChI=1S/C22H23N3O3S/c1-14-4-7-20(29-14)22(27)25-10-8-24(9-11-25)21(26)18-12-16-5-6-17(28-3)13-19(16)23-15(18)2/h4-7,12-13H,8-11H2,1-3H3
InChIKeyIVYBBXLTNZLYFV-UHFFFAOYSA-N
XLogP3.52
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 55724482
[4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 111429757
2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890886
2-(4-chlorophenyl)-1-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]ethanone
CID 78902446
(2,6-dimethylmorpholin-4-yl)-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 42924708
[3-(aminomethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 119483302
(7-methoxy-2-methylquinolin-3-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42281291
[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 46456266
1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55519367
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(6-methoxy-2-methylquinolin-3-yl)methanone
CID 36939720
[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 55871645

Frequently Asked Questions

What is the IUPAC name of [4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 55977388) is [4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone is COc1ccc2cc(C(=O)N3CCN(C(=O)c4ccc(C)s4)CC3)c(C)nc2c1.
What is the InChIKey of [4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is IVYBBXLTNZLYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-14-4-7-20(29-14)22(27)25-10-8-24(9-11-25)21(26)18-12-16-5-6-17(28-3)13-19(16)23-15(18)2/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of [4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 409.51 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 55977388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).