4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one

C22H29N3O3 — CID 5307784

IUPAC4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(OCC(=O)N2CCN(C3CCCCC3)CC2)c2ccccc21
InChIInChI=1S/C22H29N3O3/c1-23-19-10-6-5-9-18(19)20(15-21(23)26)28-16-22(27)25-13-11-24(12-14-25)17-7-3-2-4-8-17/h5-6,9-10,15,17H,2-4,7-8,11-14,16H2,1H3
InChIKeyDHDBDXJQEFLPAV-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.39
Rot. Bonds4

About 4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one

4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one (PubChem CID 5307784) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one
PubChem CID5307784
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(OCC(=O)N2CCN(C3CCCCC3)CC2)c2ccccc21
InChIInChI=1S/C22H29N3O3/c1-23-19-10-6-5-9-18(19)20(15-21(23)26)28-16-22(27)25-13-11-24(12-14-25)17-7-3-2-4-8-17/h5-6,9-10,15,17H,2-4,7-8,11-14,16H2,1H3
InChIKeyDHDBDXJQEFLPAV-UHFFFAOYSA-N
XLogP2.39
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one?
The IUPAC name of 4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one (CID 5307784) is 4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one.
What is the SMILES notation for 4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one?
The canonical SMILES for 4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one is Cn1c(=O)cc(OCC(=O)N2CCN(C3CCCCC3)CC2)c2ccccc21.
What is the InChIKey of 4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one?
The InChIKey is DHDBDXJQEFLPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-23-19-10-6-5-9-18(19)20(15-21(23)26)28-16-22(27)25-13-11-24(12-14-25)17-7-3-2-4-8-17/h5-6,9-10,15,17H,2-4,7-8,11-14,16H2,1H3.
What are the key properties of 4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one?
4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one has a molecular weight of 383.49 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one is sourced from PubChem (CID 5307784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).