methyl 2-(4-sulfamoylanilino)quinazoline-7-carboxylate

C16H14N4O4S — CID 67080803

IUPACmethyl 2-(4-sulfamoylanilino)quinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2c1
InChIInChI=1S/C16H14N4O4S/c1-24-15(21)10-2-3-11-9-18-16(20-14(11)8-10)19-12-4-6-13(7-5-12)25(17,22)23/h2-9H,1H3,(H2,17,22,23)(H,18,19,20)
InChIKeyJPQMOUHAAUKDBM-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.81
Rot. Bonds4

About methyl 2-(4-sulfamoylanilino)quinazoline-7-carboxylate

methyl 2-(4-sulfamoylanilino)quinazoline-7-carboxylate (PubChem CID 67080803) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is methyl 2-(4-sulfamoylanilino)quinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-sulfamoylanilino)quinazoline-7-carboxylate
PubChem CID67080803
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC Namemethyl 2-(4-sulfamoylanilino)quinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2c1
InChIInChI=1S/C16H14N4O4S/c1-24-15(21)10-2-3-11-9-18-16(20-14(11)8-10)19-12-4-6-13(7-5-12)25(17,22)23/h2-9H,1H3,(H2,17,22,23)(H,18,19,20)
InChIKeyJPQMOUHAAUKDBM-UHFFFAOYSA-N
XLogP1.81
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-sulfamoylanilino)quinazoline-7-carboxylate?
The IUPAC name of methyl 2-(4-sulfamoylanilino)quinazoline-7-carboxylate (CID 67080803) is methyl 2-(4-sulfamoylanilino)quinazoline-7-carboxylate.
What is the SMILES notation for methyl 2-(4-sulfamoylanilino)quinazoline-7-carboxylate?
The canonical SMILES for methyl 2-(4-sulfamoylanilino)quinazoline-7-carboxylate is COC(=O)c1ccc2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2c1.
What is the InChIKey of methyl 2-(4-sulfamoylanilino)quinazoline-7-carboxylate?
The InChIKey is JPQMOUHAAUKDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S/c1-24-15(21)10-2-3-11-9-18-16(20-14(11)8-10)19-12-4-6-13(7-5-12)25(17,22)23/h2-9H,1H3,(H2,17,22,23)(H,18,19,20).
What are the key properties of methyl 2-(4-sulfamoylanilino)quinazoline-7-carboxylate?
methyl 2-(4-sulfamoylanilino)quinazoline-7-carboxylate has a molecular weight of 358.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-sulfamoylanilino)quinazoline-7-carboxylate is sourced from PubChem (CID 67080803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).