3-(3-methylphenyl)-N-methylsulfonyl-2,4-dioxo-1H-quinazoline-7-carboxamide

C17H15N3O5S — CID 146154438

IUPAC3-(3-methylphenyl)-N-methylsulfonyl-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCc1cccc(-n2c(=O)[nH]c3cc(C(=O)NS(C)(=O)=O)ccc3c2=O)c1
InChIInChI=1S/C17H15N3O5S/c1-10-4-3-5-12(8-10)20-16(22)13-7-6-11(9-14(13)18-17(20)23)15(21)19-26(2,24)25/h3-9H,1-2H3,(H,18,23)(H,19,21)
InChIKeyBMJKWSXRADLCAQ-UHFFFAOYSA-N
MW373.39 g/mol
LogP0.68
Rot. Bonds3

About 3-(3-methylphenyl)-N-methylsulfonyl-2,4-dioxo-1H-quinazoline-7-carboxamide

3-(3-methylphenyl)-N-methylsulfonyl-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 146154438) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-methylsulfonyl-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-methylsulfonyl-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID146154438
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC Name3-(3-methylphenyl)-N-methylsulfonyl-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCc1cccc(-n2c(=O)[nH]c3cc(C(=O)NS(C)(=O)=O)ccc3c2=O)c1
InChIInChI=1S/C17H15N3O5S/c1-10-4-3-5-12(8-10)20-16(22)13-7-6-11(9-14(13)18-17(20)23)15(21)19-26(2,24)25/h3-9H,1-2H3,(H,18,23)(H,19,21)
InChIKeyBMJKWSXRADLCAQ-UHFFFAOYSA-N
XLogP0.68
TPSA118.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(3-methylphenyl)-N-methylsulfonyl-2,4-dioxo-1H-quinazoline-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-dimethylphenyl)-2,4-dioxo-1H-quinazoline-7-carboxylic acid
CID 71296246
3-methyl-N-methylsulfonylbenzamide
CID 18331681
3-(3-chlorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylic acid
CID 16774187
2,4-dioxo-3-phenyl-N-prop-2-ynyl-1H-quinazoline-7-carboxamide
CID 17434509
N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 17412668
3-(4-methylphenyl)-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-quinazoline-7-carboxamide
CID 22423581
N-(1-methylpyrazol-3-yl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 17494842
2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide
CID 24531731
3-methyl-N-methylsulfonylbenzamide;nonane;pentane
CID 143716658
8-methoxy-3-(3-methylphenyl)-1H-quinazoline-2,4-dione
CID 117261941
N-(2-benzylsulfanylethyl)-3-(4-methylphenyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15996626
5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione
CID 4093447

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-methylsulfonyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of 3-(3-methylphenyl)-N-methylsulfonyl-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 146154438) is 3-(3-methylphenyl)-N-methylsulfonyl-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-methylsulfonyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for 3-(3-methylphenyl)-N-methylsulfonyl-2,4-dioxo-1H-quinazoline-7-carboxamide is Cc1cccc(-n2c(=O)[nH]c3cc(C(=O)NS(C)(=O)=O)ccc3c2=O)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-methylsulfonyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is BMJKWSXRADLCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-10-4-3-5-12(8-10)20-16(22)13-7-6-11(9-14(13)18-17(20)23)15(21)19-26(2,24)25/h3-9H,1-2H3,(H,18,23)(H,19,21).
What are the key properties of 3-(3-methylphenyl)-N-methylsulfonyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
3-(3-methylphenyl)-N-methylsulfonyl-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-methylsulfonyl-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 146154438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).