ethyl 4-(3-sulfamoylanilino)quinoline-3-carboxylate

C18H17N3O4S — CID 155927460

IUPACethyl 4-(3-sulfamoylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H17N3O4S/c1-2-25-18(22)15-11-20-16-9-4-3-8-14(16)17(15)21-12-6-5-7-13(10-12)26(19,23)24/h3-11H,2H2,1H3,(H,20,21)(H2,19,23,24)
InChIKeyGHKDGUXYSMSOAZ-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.80
Rot. Bonds5

About ethyl 4-(3-sulfamoylanilino)quinoline-3-carboxylate

ethyl 4-(3-sulfamoylanilino)quinoline-3-carboxylate (PubChem CID 155927460) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is ethyl 4-(3-sulfamoylanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-sulfamoylanilino)quinoline-3-carboxylate
PubChem CID155927460
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Nameethyl 4-(3-sulfamoylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H17N3O4S/c1-2-25-18(22)15-11-20-16-9-4-3-8-14(16)17(15)21-12-6-5-7-13(10-12)26(19,23)24/h3-11H,2H2,1H3,(H,20,21)(H2,19,23,24)
InChIKeyGHKDGUXYSMSOAZ-UHFFFAOYSA-N
XLogP2.80
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(3-sulfamoylanilino)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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-sulfamoylanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(3-sulfamoylanilino)quinoline-3-carboxylate (CID 155927460) is ethyl 4-(3-sulfamoylanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(3-sulfamoylanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(3-sulfamoylanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of ethyl 4-(3-sulfamoylanilino)quinoline-3-carboxylate?
The InChIKey is GHKDGUXYSMSOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-2-25-18(22)15-11-20-16-9-4-3-8-14(16)17(15)21-12-6-5-7-13(10-12)26(19,23)24/h3-11H,2H2,1H3,(H,20,21)(H2,19,23,24).
What are the key properties of ethyl 4-(3-sulfamoylanilino)quinoline-3-carboxylate?
ethyl 4-(3-sulfamoylanilino)quinoline-3-carboxylate has a molecular weight of 371.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-sulfamoylanilino)quinoline-3-carboxylate is sourced from PubChem (CID 155927460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).