ethyl 4-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperazine-1-carboxylate

C22H22ClN3O3 — CID 2941207

IUPACethyl 4-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1
InChIInChI=1S/C22H22ClN3O3/c1-2-29-22(28)26-12-10-25(11-13-26)20-19(15-6-4-3-5-7-15)17-14-16(23)8-9-18(17)24-21(20)27/h3-9,14H,2,10-13H2,1H3,(H,24,27)
InChIKeyMSDLVWHFAGWMGB-UHFFFAOYSA-N
MW411.89 g/mol
LogP4.13
Rot. Bonds3

About ethyl 4-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperazine-1-carboxylate

ethyl 4-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperazine-1-carboxylate (PubChem CID 2941207) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is ethyl 4-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperazine-1-carboxylate
PubChem CID2941207
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Nameethyl 4-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1
InChIInChI=1S/C22H22ClN3O3/c1-2-29-22(28)26-12-10-25(11-13-26)20-19(15-6-4-3-5-7-15)17-14-16(23)8-9-18(17)24-21(20)27/h3-9,14H,2,10-13H2,1H3,(H,24,27)
InChIKeyMSDLVWHFAGWMGB-UHFFFAOYSA-N
XLogP4.13
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperazine-1-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 4-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperazine-1-carboxylate (CID 2941207) is ethyl 4-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1.
What is the InChIKey of ethyl 4-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperazine-1-carboxylate?
The InChIKey is MSDLVWHFAGWMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-2-29-22(28)26-12-10-25(11-13-26)20-19(15-6-4-3-5-7-15)17-14-16(23)8-9-18(17)24-21(20)27/h3-9,14H,2,10-13H2,1H3,(H,24,27).
What are the key properties of ethyl 4-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperazine-1-carboxylate?
ethyl 4-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperazine-1-carboxylate has a molecular weight of 411.89 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 2941207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).