2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride

C16H20BrClN4O2 — CID 120597912

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCC1CC(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)CCN1.Cl
InChIInChI=1S/C16H19BrN4O2.ClH/c1-10-6-12(4-5-18-10)20-15(22)8-21-9-19-14-3-2-11(17)7-13(14)16(21)23;/h2-3,7,9-10,12,18H,4-6,8H2,1H3,(H,20,22);1H
InChIKeyCCBJHZYYYJEVCK-UHFFFAOYSA-N
MW415.72 g/mol
LogP1.84
Rot. Bonds3

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride (PubChem CID 120597912) has the molecular formula C16H20BrClN4O2 and a molecular weight of 415.72 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
PubChem CID120597912
Molecular FormulaC16H20BrClN4O2
Molecular Weight415.72 g/mol
Exact Mass414.05
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCC1CC(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)CCN1.Cl
InChIInChI=1S/C16H19BrN4O2.ClH/c1-10-6-12(4-5-18-10)20-15(22)8-21-9-19-14-3-2-11(17)7-13(14)16(21)23;/h2-3,7,9-10,12,18H,4-6,8H2,1H3,(H,20,22);1H
InChIKeyCCBJHZYYYJEVCK-UHFFFAOYSA-N
XLogP1.84
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.72
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride (CID 120597912) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride is CC1CC(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)CCN1.Cl.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride?
The InChIKey is CCBJHZYYYJEVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2.ClH/c1-10-6-12(4-5-18-10)20-15(22)8-21-9-19-14-3-2-11(17)7-13(14)16(21)23;/h2-3,7,9-10,12,18H,4-6,8H2,1H3,(H,20,22);1H.
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride has a molecular weight of 415.72 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120597912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).