N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(1,1-dioxothiolan-3-yl)acetamide

C20H25N5O3S — CID 110238785

IUPACN-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(C)Cc2nc(-c3cnccn3)ncc2C(NC(=O)CC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C20H25N5O3S/c1-20(2)8-15(24-18(26)7-13-3-6-29(27,28)12-13)14-10-23-19(25-16(14)9-20)17-11-21-4-5-22-17/h4-5,10-11,13,15H,3,6-9,12H2,1-2H3,(H,24,26)
InChIKeyZROHNUWHJGMAIP-UHFFFAOYSA-N
MW415.52 g/mol
LogP1.89
Rot. Bonds4

About N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(1,1-dioxothiolan-3-yl)acetamide

N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 110238785) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID110238785
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC NameN-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(C)Cc2nc(-c3cnccn3)ncc2C(NC(=O)CC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C20H25N5O3S/c1-20(2)8-15(24-18(26)7-13-3-6-29(27,28)12-13)14-10-23-19(25-16(14)9-20)17-11-21-4-5-22-17/h4-5,10-11,13,15H,3,6-9,12H2,1-2H3,(H,24,26)
InChIKeyZROHNUWHJGMAIP-UHFFFAOYSA-N
XLogP1.89
TPSA114.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(1,1-dioxothiolan-3-yl)acetamide 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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)acetamide
CID 110238924
N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methoxypyridine-4-carboxamide
CID 110238798
N-(7,7-dimethyl-2-pyridin-3-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-piperidin-1-ylacetamide
CID 110237820
N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide
CID 46955296
N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 3538538
N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7222590
N-(5-bromo-2-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 60712565
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 8865429
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetohydrazide
CID 9374171
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(Z)-1-phenylethylideneamino]acetamide
CID 8865960
2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide
CID 52507892
N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide
CID 47156864

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(1,1-dioxothiolan-3-yl)acetamide (CID 110238785) is N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(1,1-dioxothiolan-3-yl)acetamide is CC1(C)Cc2nc(-c3cnccn3)ncc2C(NC(=O)CC2CCS(=O)(=O)C2)C1.
What is the InChIKey of N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is ZROHNUWHJGMAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-20(2)8-15(24-18(26)7-13-3-6-29(27,28)12-13)14-10-23-19(25-16(14)9-20)17-11-21-4-5-22-17/h4-5,10-11,13,15H,3,6-9,12H2,1-2H3,(H,24,26).
What are the key properties of N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(1,1-dioxothiolan-3-yl)acetamide?
N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 415.52 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 110238785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).