2-methyl-N-[4-(3-methylanilino)quinazolin-6-yl]-1H-imidazole-5-sulfonamide

C19H18N6O2S — CID 67622725

IUPAC2-methyl-N-[4-(3-methylanilino)quinazolin-6-yl]-1H-imidazole-5-sulfonamide
SMILESCc1cccc(Nc2ncnc3ccc(NS(=O)(=O)c4cnc(C)[nH]4)cc23)c1
InChIInChI=1S/C19H18N6O2S/c1-12-4-3-5-14(8-12)24-19-16-9-15(6-7-17(16)21-11-22-19)25-28(26,27)18-10-20-13(2)23-18/h3-11,25H,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyBEAYNJMXLKTKLX-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.51
Rot. Bonds5

About 2-methyl-N-[4-(3-methylanilino)quinazolin-6-yl]-1H-imidazole-5-sulfonamide

2-methyl-N-[4-(3-methylanilino)quinazolin-6-yl]-1H-imidazole-5-sulfonamide (PubChem CID 67622725) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is 2-methyl-N-[4-(3-methylanilino)quinazolin-6-yl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[4-(3-methylanilino)quinazolin-6-yl]-1H-imidazole-5-sulfonamide
PubChem CID67622725
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC Name2-methyl-N-[4-(3-methylanilino)quinazolin-6-yl]-1H-imidazole-5-sulfonamide
SMILESCc1cccc(Nc2ncnc3ccc(NS(=O)(=O)c4cnc(C)[nH]4)cc23)c1
InChIInChI=1S/C19H18N6O2S/c1-12-4-3-5-14(8-12)24-19-16-9-15(6-7-17(16)21-11-22-19)25-28(26,27)18-10-20-13(2)23-18/h3-11,25H,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyBEAYNJMXLKTKLX-UHFFFAOYSA-N
XLogP3.51
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 63000163
N-(3,5-dimethylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62997984
2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide
CID 63000218
3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid
CID 62999270
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
N-(3-hydroxy-4-methylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 64794398
(E)-4-(dimethylamino)-N-[4-(3-methylanilino)quinazolin-6-yl]but-2-enamide
CID 71215453
6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
4-(3-methylanilino)quinazoline-7-carboxylic acid
CID 1414137
2-[3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]phenoxy]acetamide
CID 63000197
N-(3-methylphenyl)-6-(phenylsulfanylmethyl)quinazolin-4-amine
CID 19963153
N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 3658049

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(3-methylanilino)quinazolin-6-yl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-[4-(3-methylanilino)quinazolin-6-yl]-1H-imidazole-5-sulfonamide (CID 67622725) is 2-methyl-N-[4-(3-methylanilino)quinazolin-6-yl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-[4-(3-methylanilino)quinazolin-6-yl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-[4-(3-methylanilino)quinazolin-6-yl]-1H-imidazole-5-sulfonamide is Cc1cccc(Nc2ncnc3ccc(NS(=O)(=O)c4cnc(C)[nH]4)cc23)c1.
What is the InChIKey of 2-methyl-N-[4-(3-methylanilino)quinazolin-6-yl]-1H-imidazole-5-sulfonamide?
The InChIKey is BEAYNJMXLKTKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-12-4-3-5-14(8-12)24-19-16-9-15(6-7-17(16)21-11-22-19)25-28(26,27)18-10-20-13(2)23-18/h3-11,25H,1-2H3,(H,20,23)(H,21,22,24).
What are the key properties of 2-methyl-N-[4-(3-methylanilino)quinazolin-6-yl]-1H-imidazole-5-sulfonamide?
2-methyl-N-[4-(3-methylanilino)quinazolin-6-yl]-1H-imidazole-5-sulfonamide has a molecular weight of 394.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(3-methylanilino)quinazolin-6-yl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 67622725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).