2-(4-chlorophenyl)-1-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]ethanone

C24H24ClN3O3 — CID 78902446

IUPAC2-(4-chlorophenyl)-1-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]ethanone
SMILESCOc1ccc2cc(C(=O)N3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)c(C)nc2c1
InChIInChI=1S/C24H24ClN3O3/c1-16-21(14-18-5-8-20(31-2)15-22(18)26-16)24(30)28-11-9-27(10-12-28)23(29)13-17-3-6-19(25)7-4-17/h3-8,14-15H,9-13H2,1-2H3
InChIKeyXVEXKTFXVUNMTR-UHFFFAOYSA-N
MW437.93 g/mol
LogP3.73
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]ethanone

2-(4-chlorophenyl)-1-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 78902446) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID78902446
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name2-(4-chlorophenyl)-1-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]ethanone
SMILESCOc1ccc2cc(C(=O)N3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)c(C)nc2c1
InChIInChI=1S/C24H24ClN3O3/c1-16-21(14-18-5-8-20(31-2)15-22(18)26-16)24(30)28-11-9-27(10-12-28)23(29)13-17-3-6-19(25)7-4-17/h3-8,14-15H,9-13H2,1-2H3
InChIKeyXVEXKTFXVUNMTR-UHFFFAOYSA-N
XLogP3.73
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 55724482
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110365515
2-(4-chlorophenyl)-1-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110359107
[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 55977388
[4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 111429757
2-(4-chlorophenyl)-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 113074346
[3-(aminomethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 119483302
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92672754
(2,6-dimethylmorpholin-4-yl)-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 42924708
2-(4-chlorophenyl)-1-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 113077817
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 108534002
1-[4-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]-2-phenylethanone
CID 4273924

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]ethanone (CID 78902446) is 2-(4-chlorophenyl)-1-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]ethanone is COc1ccc2cc(C(=O)N3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)c(C)nc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is XVEXKTFXVUNMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-16-21(14-18-5-8-20(31-2)15-22(18)26-16)24(30)28-11-9-27(10-12-28)23(29)13-17-3-6-19(25)7-4-17/h3-8,14-15H,9-13H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 437.93 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 78902446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).