1-(4-methoxyphenyl)-2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethanone

C23H25N3O2 — CID 2728466

IUPAC1-(4-methoxyphenyl)-2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)CN2CCN(c3cc(C)nc4ccccc34)CC2)cc1
InChIInChI=1S/C23H25N3O2/c1-17-15-22(20-5-3-4-6-21(20)24-17)26-13-11-25(12-14-26)16-23(27)18-7-9-19(28-2)10-8-18/h3-10,15H,11-14,16H2,1-2H3
InChIKeyHGKIBQCJDDCQAV-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.56
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethanone

1-(4-methoxyphenyl)-2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethanone (PubChem CID 2728466) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethanone
PubChem CID2728466
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-(4-methoxyphenyl)-2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)CN2CCN(c3cc(C)nc4ccccc34)CC2)cc1
InChIInChI=1S/C23H25N3O2/c1-17-15-22(20-5-3-4-6-21(20)24-17)26-13-11-25(12-14-26)16-23(27)18-7-9-19(28-2)10-8-18/h3-10,15H,11-14,16H2,1-2H3
InChIKeyHGKIBQCJDDCQAV-UHFFFAOYSA-N
XLogP3.56
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethanone (CID 2728466) is 1-(4-methoxyphenyl)-2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethanone is COc1ccc(C(=O)CN2CCN(c3cc(C)nc4ccccc34)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is HGKIBQCJDDCQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-15-22(20-5-3-4-6-21(20)24-17)26-13-11-25(12-14-26)16-23(27)18-7-9-19(28-2)10-8-18/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethanone?
1-(4-methoxyphenyl)-2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 375.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2728466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).