N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(2H-tetrazol-5-yl)acetamide

C17H25N7O — CID 72862527

IUPACN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(2H-tetrazol-5-yl)acetamide
SMILESCC1(C)Cc2nc(C(C)(C)C)ncc2C(NC(=O)Cc2nn[nH]n2)C1
InChIInChI=1S/C17H25N7O/c1-16(2,3)15-18-9-10-11(7-17(4,5)8-12(10)20-15)19-14(25)6-13-21-23-24-22-13/h9,11H,6-8H2,1-5H3,(H,19,25)(H,21,22,23,24)
InChIKeyIRPQMVAMYDLTHU-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.66
Rot. Bonds3

About N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(2H-tetrazol-5-yl)acetamide

N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 72862527) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID72862527
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC NameN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(2H-tetrazol-5-yl)acetamide
SMILESCC1(C)Cc2nc(C(C)(C)C)ncc2C(NC(=O)Cc2nn[nH]n2)C1
InChIInChI=1S/C17H25N7O/c1-16(2,3)15-18-9-10-11(7-17(4,5)8-12(10)20-15)19-14(25)6-13-21-23-24-22-13/h9,11H,6-8H2,1-5H3,(H,19,25)(H,21,22,23,24)
InChIKeyIRPQMVAMYDLTHU-UHFFFAOYSA-N
XLogP1.66
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(2H-tetrazol-5-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

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(2H-tetrazol-5-yl)acetamide (CID 72862527) is N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(2H-tetrazol-5-yl)acetamide is CC1(C)Cc2nc(C(C)(C)C)ncc2C(NC(=O)Cc2nn[nH]n2)C1.
What is the InChIKey of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is IRPQMVAMYDLTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-16(2,3)15-18-9-10-11(7-17(4,5)8-12(10)20-15)19-14(25)6-13-21-23-24-22-13/h9,11H,6-8H2,1-5H3,(H,19,25)(H,21,22,23,24).
What are the key properties of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(2H-tetrazol-5-yl)acetamide?
N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 343.44 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 72862527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).