N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N,1-dimethylimidazole-4-sulfonamide

C16H23N5O4S — CID 20600997

IUPACN-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(CCCn1c2c(c(=O)[nH]c1=O)CCCC2)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C16H23N5O4S/c1-19-10-14(17-11-19)26(24,25)20(2)8-5-9-21-13-7-4-3-6-12(13)15(22)18-16(21)23/h10-11H,3-9H2,1-2H3,(H,18,22,23)
InChIKeyIXJPDRWTYOYJAS-UHFFFAOYSA-N
MW381.46 g/mol
LogP-0.14
Rot. Bonds6

About N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N,1-dimethylimidazole-4-sulfonamide

N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N,1-dimethylimidazole-4-sulfonamide (PubChem CID 20600997) has the molecular formula C16H23N5O4S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N,1-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N,1-dimethylimidazole-4-sulfonamide
PubChem CID20600997
Molecular FormulaC16H23N5O4S
Molecular Weight381.46 g/mol
Exact Mass381.15
IUPAC NameN-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(CCCn1c2c(c(=O)[nH]c1=O)CCCC2)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C16H23N5O4S/c1-19-10-14(17-11-19)26(24,25)20(2)8-5-9-21-13-7-4-3-6-12(13)15(22)18-16(21)23/h10-11H,3-9H2,1-2H3,(H,18,22,23)
InChIKeyIXJPDRWTYOYJAS-UHFFFAOYSA-N
XLogP-0.14
TPSA110.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N,1-dimethylimidazole-4-sulfonamide with MolForge

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Related Compounds

4-cyano-N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N-methylbenzenesulfonamide
CID 20600974
N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N-methyl-5-pyridin-3-ylthiophene-2-sulfonamide
CID 20601020
5-bromo-N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N-methyl-2,3-dihydrothiophene-2-sulfonamide
CID 142108174
N-(2-hydroxyethyl)-N,1-dimethylimidazole-4-sulfonamide
CID 62374965
methyl 4-[(1-ethylimidazol-4-yl)sulfonyl-methylamino]butanoate
CID 79372792
N-[3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)propyl]-N-methyl-2-oxochromene-6-sulfonamide
CID 10183222
N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-4-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylbenzenesulfinamide
CID 142108181
1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide
CID 79373044
N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide
CID 62373281
1-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]imidazole-4-sulfonamide
CID 71808376
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide
CID 126918876
N-(3-aminopropyl)-N-cyclopentyl-1-methylimidazole-4-sulfonamide
CID 62374937

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N,1-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N,1-dimethylimidazole-4-sulfonamide (CID 20600997) is N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N,1-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N,1-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N,1-dimethylimidazole-4-sulfonamide is CN(CCCn1c2c(c(=O)[nH]c1=O)CCCC2)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N,1-dimethylimidazole-4-sulfonamide?
The InChIKey is IXJPDRWTYOYJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4S/c1-19-10-14(17-11-19)26(24,25)20(2)8-5-9-21-13-7-4-3-6-12(13)15(22)18-16(21)23/h10-11H,3-9H2,1-2H3,(H,18,22,23).
What are the key properties of N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N,1-dimethylimidazole-4-sulfonamide?
N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N,1-dimethylimidazole-4-sulfonamide has a molecular weight of 381.46 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N,1-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 20600997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).