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

C16H27ClN4O — CID 154898148

IUPAC2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide;hydrochloride
SMILESCC1(C)Cc2nc(C(C)(C)C)ncc2C(NC(=O)CN)C1.Cl
InChIInChI=1S/C16H26N4O.ClH/c1-15(2,3)14-18-9-10-11(19-13(21)8-17)6-16(4,5)7-12(10)20-14;/h9,11H,6-8,17H2,1-5H3,(H,19,21);1H
InChIKeyKOKCRBGLTHZFNE-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.28
Rot. Bonds2

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

2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide;hydrochloride (PubChem CID 154898148) has the molecular formula C16H27ClN4O and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide;hydrochloride
PubChem CID154898148
Molecular FormulaC16H27ClN4O
Molecular Weight326.87 g/mol
Exact Mass326.19
IUPAC Name2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide;hydrochloride
SMILESCC1(C)Cc2nc(C(C)(C)C)ncc2C(NC(=O)CN)C1.Cl
InChIInChI=1S/C16H26N4O.ClH/c1-15(2,3)14-18-9-10-11(19-13(21)8-17)6-16(4,5)7-12(10)20-14;/h9,11H,6-8,17H2,1-5H3,(H,19,21);1H
InChIKeyKOKCRBGLTHZFNE-UHFFFAOYSA-N
XLogP2.28
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide;hydrochloride 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

N-[(5R)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 26403155
N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methanesulfonamide
CID 45229198
N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 97150544
2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine
CID 45220491
N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide
CID 72905511
(5R)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 25370573
N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-indazole-3-carboxamide
CID 97142240
2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 45251389
2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 45214393
N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)butanamide
CID 110238760
2-amino-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide;hydrochloride
CID 154898809
N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-methoxyacetamide
CID 110245485

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide;hydrochloride (CID 154898148) is 2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide;hydrochloride is CC1(C)Cc2nc(C(C)(C)C)ncc2C(NC(=O)CN)C1.Cl.
What is the InChIKey of 2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide;hydrochloride?
The InChIKey is KOKCRBGLTHZFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O.ClH/c1-15(2,3)14-18-9-10-11(19-13(21)8-17)6-16(4,5)7-12(10)20-14;/h9,11H,6-8,17H2,1-5H3,(H,19,21);1H.
What are the key properties of 2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide;hydrochloride?
2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide;hydrochloride is sourced from PubChem (CID 154898148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).