2-[4-(4-methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile

C24H24N4O2 — CID 46904958

IUPAC2-[4-(4-methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile
SMILESCOc1ccc(C(=O)N2CCN(c3nc4cc(C)cc(C)c4cc3C#N)CC2)cc1
InChIInChI=1S/C24H24N4O2/c1-16-12-17(2)21-14-19(15-25)23(26-22(21)13-16)27-8-10-28(11-9-27)24(29)18-4-6-20(30-3)7-5-18/h4-7,12-14H,8-11H2,1-3H3
InChIKeyGCZNZOMKFIJZAW-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.69
Rot. Bonds3

About 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile

2-[4-(4-methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile (PubChem CID 46904958) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(4-methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile
PubChem CID46904958
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-[4-(4-methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile
SMILESCOc1ccc(C(=O)N2CCN(c3nc4cc(C)cc(C)c4cc3C#N)CC2)cc1
InChIInChI=1S/C24H24N4O2/c1-16-12-17(2)21-14-19(15-25)23(26-22(21)13-16)27-8-10-28(11-9-27)24(29)18-4-6-20(30-3)7-5-18/h4-7,12-14H,8-11H2,1-3H3
InChIKeyGCZNZOMKFIJZAW-UHFFFAOYSA-N
XLogP3.69
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-cyano-5,7-dimethylquinolin-2-yl)-N-(4-methoxyphenyl)-1,4-diazepane-1-carbothioamide
CID 1451623
4-(3-cyano-5,7-dimethylquinolin-2-yl)-N-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 59807232
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-7-methylquinoline-3-carbonitrile
CID 43812755
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110404178
6-ethoxy-2-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 1454377
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-6,7-dimethylquinoline-3-carbonitrile
CID 1454324
5-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
CID 42587110
2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131
2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methoxyquinoline-3-carbonitrile
CID 110354893
2-(2,5-dimethylphenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110802481
[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113079530
2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetonitrile
CID 28705312

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile?
The IUPAC name of 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile (CID 46904958) is 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile.
What is the SMILES notation for 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile?
The canonical SMILES for 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile is COc1ccc(C(=O)N2CCN(c3nc4cc(C)cc(C)c4cc3C#N)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile?
The InChIKey is GCZNZOMKFIJZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16-12-17(2)21-14-19(15-25)23(26-22(21)13-16)27-8-10-28(11-9-27)24(29)18-4-6-20(30-3)7-5-18/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile?
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile has a molecular weight of 400.48 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile is sourced from PubChem (CID 46904958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).