N-(tert-butylsulfamoyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide

C16H22N4O6S — CID 166393120

IUPACN-(tert-butylsulfamoyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
SMILESCOc1cc2ncn(CC(=O)NS(=O)(=O)NC(C)(C)C)c(=O)c2cc1OC
InChIInChI=1S/C16H22N4O6S/c1-16(2,3)19-27(23,24)18-14(21)8-20-9-17-11-7-13(26-5)12(25-4)6-10(11)15(20)22/h6-7,9,19H,8H2,1-5H3,(H,18,21)
InChIKeyQXCUFYLEBLHIPF-UHFFFAOYSA-N
MW398.44 g/mol
LogP0.16
Rot. Bonds6

About N-(tert-butylsulfamoyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide

N-(tert-butylsulfamoyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide (PubChem CID 166393120) has the molecular formula C16H22N4O6S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-(tert-butylsulfamoyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(tert-butylsulfamoyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
PubChem CID166393120
Molecular FormulaC16H22N4O6S
Molecular Weight398.44 g/mol
Exact Mass398.13
IUPAC NameN-(tert-butylsulfamoyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
SMILESCOc1cc2ncn(CC(=O)NS(=O)(=O)NC(C)(C)C)c(=O)c2cc1OC
InChIInChI=1S/C16H22N4O6S/c1-16(2,3)19-27(23,24)18-14(21)8-20-9-17-11-7-13(26-5)12(25-4)6-10(11)15(20)22/h6-7,9,19H,8H2,1-5H3,(H,18,21)
InChIKeyQXCUFYLEBLHIPF-UHFFFAOYSA-N
XLogP0.16
TPSA128.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide
CID 91638290
N-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
CID 166238740
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 51276831
(2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-hydroxyethyl)-3-methylbutanamide
CID 29147907
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
CID 71703841
3-(4-chlorobutyl)-6,7-dimethoxyquinazolin-4-one
CID 22326633
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41041007
(2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 39377619
(2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-[(2R)-6-methylheptan-2-yl]butanamide
CID 29147451
3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)propanamide
CID 45493274
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
CID 124860372
methyl (2S)-2-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]-4-methylpentanoate
CID 45490464

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylsulfamoyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(tert-butylsulfamoyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide (CID 166393120) is N-(tert-butylsulfamoyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(tert-butylsulfamoyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(tert-butylsulfamoyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide is COc1cc2ncn(CC(=O)NS(=O)(=O)NC(C)(C)C)c(=O)c2cc1OC.
What is the InChIKey of N-(tert-butylsulfamoyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is QXCUFYLEBLHIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O6S/c1-16(2,3)19-27(23,24)18-14(21)8-20-9-17-11-7-13(26-5)12(25-4)6-10(11)15(20)22/h6-7,9,19H,8H2,1-5H3,(H,18,21).
What are the key properties of N-(tert-butylsulfamoyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide?
N-(tert-butylsulfamoyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 398.44 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylsulfamoyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 166393120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).