4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile

C23H22N4O3 — CID 58799197

IUPAC4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile
SMILESCOc1ccc(C(=O)N2CCN(c3c(C#N)c(=O)n(C)c4ccccc34)CC2)cc1
InChIInChI=1S/C23H22N4O3/c1-25-20-6-4-3-5-18(20)21(19(15-24)23(25)29)26-11-13-27(14-12-26)22(28)16-7-9-17(30-2)10-8-16/h3-10H,11-14H2,1-2H3
InChIKeyBGPDSRUFVRKQST-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.38
Rot. Bonds3

About 4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile

4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile (PubChem CID 58799197) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile
PubChem CID58799197
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile
SMILESCOc1ccc(C(=O)N2CCN(c3c(C#N)c(=O)n(C)c4ccccc34)CC2)cc1
InChIInChI=1S/C23H22N4O3/c1-25-20-6-4-3-5-18(20)21(19(15-24)23(25)29)26-11-13-27(14-12-26)22(28)16-7-9-17(30-2)10-8-16/h3-10H,11-14H2,1-2H3
InChIKeyBGPDSRUFVRKQST-UHFFFAOYSA-N
XLogP2.38
TPSA78.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;6-chloro-1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 160701327
ethyl 4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;methane
CID 158967895
azane;1-methyl-2-oxo-4-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 162315338
azane;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 162314700
1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 58799195
4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile
CID 58799186
[4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113080416
N-(cyanomethyl)-1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidine-4-carboxamide
CID 89052488
N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]benzamide
CID 56644468
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
2-[4-(azetidine-1-carbonyl)phenyl]-5-methoxy-1-methylindole-3-carbonitrile
CID 143185147
N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-hydroxyacetamide
CID 56644467

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile?
The IUPAC name of 4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile (CID 58799197) is 4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile.
What is the SMILES notation for 4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile?
The canonical SMILES for 4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile is COc1ccc(C(=O)N2CCN(c3c(C#N)c(=O)n(C)c4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile?
The InChIKey is BGPDSRUFVRKQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-25-20-6-4-3-5-18(20)21(19(15-24)23(25)29)26-11-13-27(14-12-26)22(28)16-7-9-17(30-2)10-8-16/h3-10H,11-14H2,1-2H3.
What are the key properties of 4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile?
4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile has a molecular weight of 402.45 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile is sourced from PubChem (CID 58799197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).