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

C22H21N5O3 — CID 110245577

IUPACN-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide
SMILESCC1(C)Cc2nc(-c3cnccn3)ncc2C(NC(=O)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C22H21N5O3/c1-22(2)8-15-14(10-25-20(26-15)17-11-23-5-6-24-17)16(9-22)27-21(28)13-3-4-18-19(7-13)30-12-29-18/h3-7,10-11,16H,8-9,12H2,1-2H3,(H,27,28)
InChIKeyTUCPJSJCBQEQRH-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.11
Rot. Bonds3

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

N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 110245577) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID110245577
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide
SMILESCC1(C)Cc2nc(-c3cnccn3)ncc2C(NC(=O)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C22H21N5O3/c1-22(2)8-15-14(10-25-20(26-15)17-11-23-5-6-24-17)16(9-22)27-21(28)13-3-4-18-19(7-13)30-12-29-18/h3-7,10-11,16H,8-9,12H2,1-2H3,(H,27,28)
InChIKeyTUCPJSJCBQEQRH-UHFFFAOYSA-N
XLogP3.11
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

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-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(methoxymethyl)benzamide
CID 110238786
N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide
CID 110237898
N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(ethoxymethyl)benzamide
CID 110238804
N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)butanamide
CID 110238760
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)oxolane-3-carboxamide
CID 110238779
N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4,5-dimethylthiophene-2-carboxamide
CID 110237676
N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3,5-diethyl-1,2-oxazole-4-carboxamide
CID 110237738
N'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide
CID 17388270
N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3-benzodioxole-5-carboxamide
CID 4093721
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985579

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide (CID 110245577) is N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide is CC1(C)Cc2nc(-c3cnccn3)ncc2C(NC(=O)c2ccc3c(c2)OCO3)C1.
What is the InChIKey of N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is TUCPJSJCBQEQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-22(2)8-15-14(10-25-20(26-15)17-11-23-5-6-24-17)16(9-22)27-21(28)13-3-4-18-19(7-13)30-12-29-18/h3-7,10-11,16H,8-9,12H2,1-2H3,(H,27,28).
What are the key properties of N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide?
N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 3.11, 3 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)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110245577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).