4-[[(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)amino]methyl]benzenesulfonamide

C16H18N4O3S — CID 154878339

IUPAC4-[[(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)amino]methyl]benzenesulfonamide
SMILESCN1Cc2cc(NCc3ccc(S(N)(=O)=O)cc3)ccc2NC1=O
InChIInChI=1S/C16H18N4O3S/c1-20-10-12-8-13(4-7-15(12)19-16(20)21)18-9-11-2-5-14(6-3-11)24(17,22)23/h2-8,18H,9-10H2,1H3,(H,19,21)(H2,17,22,23)
InChIKeyXFZPOFYYWVPKDJ-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.92
Rot. Bonds4

About 4-[[(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)amino]methyl]benzenesulfonamide

4-[[(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)amino]methyl]benzenesulfonamide (PubChem CID 154878339) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-[[(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)amino]methyl]benzenesulfonamide
PubChem CID154878339
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name4-[[(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)amino]methyl]benzenesulfonamide
SMILESCN1Cc2cc(NCc3ccc(S(N)(=O)=O)cc3)ccc2NC1=O
InChIInChI=1S/C16H18N4O3S/c1-20-10-12-8-13(4-7-15(12)19-16(20)21)18-9-11-2-5-14(6-3-11)24(17,22)23/h2-8,18H,9-10H2,1H3,(H,19,21)(H2,17,22,23)
InChIKeyXFZPOFYYWVPKDJ-UHFFFAOYSA-N
XLogP1.92
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,4-N-dimethyl-1-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzene-1,4-disulfonamide
CID 139007939
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
CID 71271629
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567
3-methyl-5-[(4-sulfamoylphenyl)methylamino]benzenesulfonamide
CID 167881522
4-[(4-sulfamoylphenyl)methylamino]benzenecarbothioamide
CID 29295496
3-[(4-methylsulfonylphenyl)methylamino]benzenesulfonamide
CID 167770306
3-methyl-6-nitro-1,4-dihydroquinazolin-2-one
CID 57415942
2-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethoxy]acetic acid
CID 82009957
2-oxo-N-[4-(pyridin-4-ylmethylamino)phenyl]-1,3-dihydroindole-5-sulfonamide
CID 112983211
4-[[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]methyl]benzenesulfonamide
CID 146202280
4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide
CID 62939908

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)amino]methyl]benzenesulfonamide (CID 154878339) is 4-[[(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)amino]methyl]benzenesulfonamide is CN1Cc2cc(NCc3ccc(S(N)(=O)=O)cc3)ccc2NC1=O.
What is the InChIKey of 4-[[(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)amino]methyl]benzenesulfonamide?
The InChIKey is XFZPOFYYWVPKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-20-10-12-8-13(4-7-15(12)19-16(20)21)18-9-11-2-5-14(6-3-11)24(17,22)23/h2-8,18H,9-10H2,1H3,(H,19,21)(H2,17,22,23).
What are the key properties of 4-[[(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)amino]methyl]benzenesulfonamide?
4-[[(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)amino]methyl]benzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 154878339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).