ethyl 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]acetate

C24H27N3O2 — CID 11794706

IUPACethyl 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]acetate
SMILESCCOC(=O)Cc1c(N2CCN(C)CC2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C24H27N3O2/c1-3-29-22(28)17-20-23(18-9-5-4-6-10-18)19-11-7-8-12-21(19)25-24(20)27-15-13-26(2)14-16-27/h4-12H,3,13-17H2,1-2H3
InChIKeyCQNZQTLNAJWVOA-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.76
Rot. Bonds5

About ethyl 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]acetate

ethyl 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]acetate (PubChem CID 11794706) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is ethyl 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]acetate
PubChem CID11794706
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Nameethyl 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]acetate
SMILESCCOC(=O)Cc1c(N2CCN(C)CC2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C24H27N3O2/c1-3-29-22(28)17-20-23(18-9-5-4-6-10-18)19-11-7-8-12-21(19)25-24(20)27-15-13-26(2)14-16-27/h4-12H,3,13-17H2,1-2H3
InChIKeyCQNZQTLNAJWVOA-UHFFFAOYSA-N
XLogP3.76
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]acetate (CID 11794706) is ethyl 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]acetate is CCOC(=O)Cc1c(N2CCN(C)CC2)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of ethyl 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]acetate?
The InChIKey is CQNZQTLNAJWVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-3-29-22(28)17-20-23(18-9-5-4-6-10-18)19-11-7-8-12-21(19)25-24(20)27-15-13-26(2)14-16-27/h4-12H,3,13-17H2,1-2H3.
What are the key properties of ethyl 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]acetate?
ethyl 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]acetate has a molecular weight of 389.50 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]acetate is sourced from PubChem (CID 11794706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).