4-methyl-2-(4-sulfamoylanilino)quinazoline-7-carboxylic acid

C16H14N4O4S — CID 67080801

IUPAC4-methyl-2-(4-sulfamoylanilino)quinazoline-7-carboxylic acid
SMILESCc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc2cc(C(=O)O)ccc12
InChIInChI=1S/C16H14N4O4S/c1-9-13-7-2-10(15(21)22)8-14(13)20-16(18-9)19-11-3-5-12(6-4-11)25(17,23)24/h2-8H,1H3,(H,21,22)(H2,17,23,24)(H,18,19,20)
InChIKeyTURFPNJOLGOWLE-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.03
Rot. Bonds4

About 4-methyl-2-(4-sulfamoylanilino)quinazoline-7-carboxylic acid

4-methyl-2-(4-sulfamoylanilino)quinazoline-7-carboxylic acid (PubChem CID 67080801) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is 4-methyl-2-(4-sulfamoylanilino)quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(4-sulfamoylanilino)quinazoline-7-carboxylic acid
PubChem CID67080801
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC Name4-methyl-2-(4-sulfamoylanilino)quinazoline-7-carboxylic acid
SMILESCc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc2cc(C(=O)O)ccc12
InChIInChI=1S/C16H14N4O4S/c1-9-13-7-2-10(15(21)22)8-14(13)20-16(18-9)19-11-3-5-12(6-4-11)25(17,23)24/h2-8H,1H3,(H,21,22)(H2,17,23,24)(H,18,19,20)
InChIKeyTURFPNJOLGOWLE-UHFFFAOYSA-N
XLogP2.03
TPSA135.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[6,7-dimethoxy-4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]benzoic acid
CID 22222239
2,4-dimethylquinazoline-7-carboxylic acid
CID 143096640
N-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide
CID 25017565
4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
CID 110435636
4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
CID 11688636
4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid
CID 7138098
4-[4-(dimethylsulfamoyl)anilino]-1H-pyrrolo[3,2-c]quinoline-2,7-dicarboxylic acid
CID 171406098
2-amino-4-methylquinoline-7-carboxylic acid
CID 14359530
3,4-dimethyl-5-[(4-sulfamoylphenyl)sulfamoyl]benzoic acid
CID 7516340
2-chloro-5-(4-sulfamoylanilino)benzoic acid
CID 60860550
4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide
CID 15788206
6-[[4-[(6-carboxynaphthalen-2-yl)amino]-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]naphthalene-2-carboxylic acid
CID 58716243

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-sulfamoylanilino)quinazoline-7-carboxylic acid?
The IUPAC name of 4-methyl-2-(4-sulfamoylanilino)quinazoline-7-carboxylic acid (CID 67080801) is 4-methyl-2-(4-sulfamoylanilino)quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(4-sulfamoylanilino)quinazoline-7-carboxylic acid?
The canonical SMILES for 4-methyl-2-(4-sulfamoylanilino)quinazoline-7-carboxylic acid is Cc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc2cc(C(=O)O)ccc12.
What is the InChIKey of 4-methyl-2-(4-sulfamoylanilino)quinazoline-7-carboxylic acid?
The InChIKey is TURFPNJOLGOWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S/c1-9-13-7-2-10(15(21)22)8-14(13)20-16(18-9)19-11-3-5-12(6-4-11)25(17,23)24/h2-8H,1H3,(H,21,22)(H2,17,23,24)(H,18,19,20).
What are the key properties of 4-methyl-2-(4-sulfamoylanilino)quinazoline-7-carboxylic acid?
4-methyl-2-(4-sulfamoylanilino)quinazoline-7-carboxylic acid has a molecular weight of 358.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-sulfamoylanilino)quinazoline-7-carboxylic acid is sourced from PubChem (CID 67080801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).