[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylquinoline-4-carboxylate

C19H17N3O5S — CID 3417426

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c2ccccc2n1
InChIInChI=1S/C19H17N3O5S/c1-12-9-16(15-7-2-3-8-17(15)21-12)19(24)27-11-18(23)22-13-5-4-6-14(10-13)28(20,25)26/h2-10H,11H2,1H3,(H,22,23)(H2,20,25,26)
InChIKeyPQUQVDRXVKYEPT-UHFFFAOYSA-N
MW399.43 g/mol
LogP1.99
Rot. Bonds5

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylquinoline-4-carboxylate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylquinoline-4-carboxylate (PubChem CID 3417426) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylquinoline-4-carboxylate
PubChem CID3417426
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c2ccccc2n1
InChIInChI=1S/C19H17N3O5S/c1-12-9-16(15-7-2-3-8-17(15)21-12)19(24)27-11-18(23)22-13-5-4-6-14(10-13)28(20,25)26/h2-10H,11H2,1H3,(H,22,23)(H2,20,25,26)
InChIKeyPQUQVDRXVKYEPT-UHFFFAOYSA-N
XLogP1.99
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylquinoline-4-carboxylate (CID 3417426) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylquinoline-4-carboxylate is Cc1cc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c2ccccc2n1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is PQUQVDRXVKYEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c1-12-9-16(15-7-2-3-8-17(15)21-12)19(24)27-11-18(23)22-13-5-4-6-14(10-13)28(20,25)26/h2-10H,11H2,1H3,(H,22,23)(H2,20,25,26).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylquinoline-4-carboxylate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 399.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 3417426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).