ethyl 4-(3-ethoxycarbonylquinolin-4-yl)quinoline-3-carboxylate

C24H20N2O4 — CID 15250003

IUPACethyl 4-(3-ethoxycarbonylquinolin-4-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1-c1c(C(=O)OCC)cnc2ccccc12
InChIInChI=1S/C24H20N2O4/c1-3-29-23(27)17-13-25-19-11-7-5-9-15(19)21(17)22-16-10-6-8-12-20(16)26-14-18(22)24(28)30-4-2/h5-14H,3-4H2,1-2H3
InChIKeyUENPRZUNMHVTIC-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.80
Rot. Bonds5

About ethyl 4-(3-ethoxycarbonylquinolin-4-yl)quinoline-3-carboxylate

ethyl 4-(3-ethoxycarbonylquinolin-4-yl)quinoline-3-carboxylate (PubChem CID 15250003) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is ethyl 4-(3-ethoxycarbonylquinolin-4-yl)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-ethoxycarbonylquinolin-4-yl)quinoline-3-carboxylate
PubChem CID15250003
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Nameethyl 4-(3-ethoxycarbonylquinolin-4-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1-c1c(C(=O)OCC)cnc2ccccc12
InChIInChI=1S/C24H20N2O4/c1-3-29-23(27)17-13-25-19-11-7-5-9-15(19)21(17)22-16-10-6-8-12-20(16)26-14-18(22)24(28)30-4-2/h5-14H,3-4H2,1-2H3
InChIKeyUENPRZUNMHVTIC-UHFFFAOYSA-N
XLogP4.80
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(3-ethoxycarbonylquinolin-4-yl)quinoline-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Methyl quinoline-6-carboxylate
CID 736812
Quinoline-3-carboxylic acid
CID 80971
2-Methylquinoline-3-carboxylic acid ethyl ester
CID 647634
Ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate
CID 1568488
Ethyl 6-fluoro-2-methyl-3-quinolinecarboxylate
CID 663463
Ethyl 4-((4-(diethylamino)phenyl)amino)-6-methylquinoline-3-carboxylate
CID 1568449
ethyl 4-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzoate
CID 53492819
Ethyl 4-chlorobenzo[h]quinoline-3-carboxylate
CID 625232
Ethyl 5,8-difluoro-4-(phenylthio)quinoline-3-carboxylate
CID 2801017
Ethyl 2-methyl-4-phenylquinoline-3-carboxylate
CID 710825
Methyl 2-methyl-4-phenyl-3-quinolinecarboxylate
CID 1215170
Ethyl 1-[6-ethoxy-3-(4-methylbenzoyl)quinolin-4-yl]piperidine-3-carboxylate
CID 16010859

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-ethoxycarbonylquinolin-4-yl)quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(3-ethoxycarbonylquinolin-4-yl)quinoline-3-carboxylate (CID 15250003) is ethyl 4-(3-ethoxycarbonylquinolin-4-yl)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(3-ethoxycarbonylquinolin-4-yl)quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(3-ethoxycarbonylquinolin-4-yl)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1-c1c(C(=O)OCC)cnc2ccccc12.
What is the InChIKey of ethyl 4-(3-ethoxycarbonylquinolin-4-yl)quinoline-3-carboxylate?
The InChIKey is UENPRZUNMHVTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-3-29-23(27)17-13-25-19-11-7-5-9-15(19)21(17)22-16-10-6-8-12-20(16)26-14-18(22)24(28)30-4-2/h5-14H,3-4H2,1-2H3.
What are the key properties of ethyl 4-(3-ethoxycarbonylquinolin-4-yl)quinoline-3-carboxylate?
ethyl 4-(3-ethoxycarbonylquinolin-4-yl)quinoline-3-carboxylate has a molecular weight of 400.43 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-ethoxycarbonylquinolin-4-yl)quinoline-3-carboxylate is sourced from PubChem (CID 15250003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).