N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride

C16H22BrClN4O2 — CID 119606569

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)Cn1cnc2ccc(Br)cc2c1=O.Cl
InChIInChI=1S/C16H21BrN4O2.ClH/c1-10(2)16(3,8-18)20-14(22)7-21-9-19-13-5-4-11(17)6-12(13)15(21)23;/h4-6,9-10H,7-8,18H2,1-3H3,(H,20,22);1H
InChIKeyZEISBLLEEXVJAX-UHFFFAOYSA-N
MW417.74 g/mol
LogP2.07
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride (PubChem CID 119606569) has the molecular formula C16H22BrClN4O2 and a molecular weight of 417.74 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
PubChem CID119606569
Molecular FormulaC16H22BrClN4O2
Molecular Weight417.74 g/mol
Exact Mass416.06
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)Cn1cnc2ccc(Br)cc2c1=O.Cl
InChIInChI=1S/C16H21BrN4O2.ClH/c1-10(2)16(3,8-18)20-14(22)7-21-9-19-13-5-4-11(17)6-12(13)15(21)23;/h4-6,9-10H,7-8,18H2,1-3H3,(H,20,22);1H
InChIKeyZEISBLLEEXVJAX-UHFFFAOYSA-N
XLogP2.07
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.74
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride with MolForge

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 120507203
N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
CID 119496250
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 51196190
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55379236
N-[3-(aminomethyl)pentan-3-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 119571304
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
N-[(2S)-1-aminopropan-2-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 120506243
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 7488140
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7886626

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride (CID 119606569) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride is CC(C)C(C)(CN)NC(=O)Cn1cnc2ccc(Br)cc2c1=O.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride?
The InChIKey is ZEISBLLEEXVJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4O2.ClH/c1-10(2)16(3,8-18)20-14(22)7-21-9-19-13-5-4-11(17)6-12(13)15(21)23;/h4-6,9-10H,7-8,18H2,1-3H3,(H,20,22);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride has a molecular weight of 417.74 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119606569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).