3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methoxyphenyl)propanamide

C20H22N4O6S — CID 3237938

IUPAC3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C20H22N4O6S/c1-23-17-9-8-15(12-16(17)19(26)24(2)20(23)27)31(28,29)21-11-10-18(25)22-13-4-6-14(30-3)7-5-13/h4-9,12,21H,10-11H2,1-3H3,(H,22,25)
InChIKeyBZLKESXDRIKDHF-UHFFFAOYSA-N
MW446.49 g/mol
LogP0.55
Rot. Bonds7

About 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methoxyphenyl)propanamide

3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methoxyphenyl)propanamide (PubChem CID 3237938) has the molecular formula C20H22N4O6S and a molecular weight of 446.49 g/mol. Its IUPAC name is 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
PubChem CID3237938
Molecular FormulaC20H22N4O6S
Molecular Weight446.49 g/mol
Exact Mass446.13
IUPAC Name3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C20H22N4O6S/c1-23-17-9-8-15(12-16(17)19(26)24(2)20(23)27)31(28,29)21-11-10-18(25)22-13-4-6-14(30-3)7-5-13/h4-9,12,21H,10-11H2,1-3H3,(H,22,25)
InChIKeyBZLKESXDRIKDHF-UHFFFAOYSA-N
XLogP0.55
TPSA128.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2,2-diethyl-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 703596
4-[2-(6-methoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]benzenesulfonamide
CID 127044834
4-[2-(7-methoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]benzenesulfonamide
CID 127044835
3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one
CID 919612
3'-(4-methoxyphenyl)-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'(3'H)-one
CID 1916592
N-(4-methoxyphenyl)-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 3239722
3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 3319293
2-[3-(Diethylsulfamoyl)benzamido]-N-(4-methoxyphenyl)benzamide
CID 4651552
N-1,3-benzodioxol-5-yl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-quinazolinesulfonamide
CID 1518966
1-[(3-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398203
1-[(4-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398519
3-Benzyl-2-(3-methoxyphenyl)-2,3-dihydro-4(1H)-quinazolinone
CID 563542

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methoxyphenyl)propanamide (CID 3237938) is 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1.
What is the InChIKey of 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methoxyphenyl)propanamide?
The InChIKey is BZLKESXDRIKDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O6S/c1-23-17-9-8-15(12-16(17)19(26)24(2)20(23)27)31(28,29)21-11-10-18(25)22-13-4-6-14(30-3)7-5-13/h4-9,12,21H,10-11H2,1-3H3,(H,22,25).
What are the key properties of 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methoxyphenyl)propanamide?
3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methoxyphenyl)propanamide has a molecular weight of 446.49 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 3237938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).