ethyl 3-ethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate

C19H25N3O2 — CID 11209620

IUPACethyl 3-ethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate
SMILESCCOC(=O)c1c(CC)c(N2CCN(C)CC2)nc2ccccc12
InChIInChI=1S/C19H25N3O2/c1-4-14-17(19(23)24-5-2)15-8-6-7-9-16(15)20-18(14)22-12-10-21(3)11-13-22/h6-9H,4-5,10-13H2,1-3H3
InChIKeyKGBGMAHLDKJAJN-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.73
Rot. Bonds4

About ethyl 3-ethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate

ethyl 3-ethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate (PubChem CID 11209620) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is ethyl 3-ethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate
PubChem CID11209620
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Nameethyl 3-ethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate
SMILESCCOC(=O)c1c(CC)c(N2CCN(C)CC2)nc2ccccc12
InChIInChI=1S/C19H25N3O2/c1-4-14-17(19(23)24-5-2)15-8-6-7-9-16(15)20-18(14)22-12-10-21(3)11-13-22/h6-9H,4-5,10-13H2,1-3H3
InChIKeyKGBGMAHLDKJAJN-UHFFFAOYSA-N
XLogP2.73
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-ethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate?
The IUPAC name of ethyl 3-ethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate (CID 11209620) is ethyl 3-ethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate?
The canonical SMILES for ethyl 3-ethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate is CCOC(=O)c1c(CC)c(N2CCN(C)CC2)nc2ccccc12.
What is the InChIKey of ethyl 3-ethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate?
The InChIKey is KGBGMAHLDKJAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-14-17(19(23)24-5-2)15-8-6-7-9-16(15)20-18(14)22-12-10-21(3)11-13-22/h6-9H,4-5,10-13H2,1-3H3.
What are the key properties of ethyl 3-ethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate?
ethyl 3-ethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate has a molecular weight of 327.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate is sourced from PubChem (CID 11209620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).