2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide

C17H18BrN7O2 — CID 56527596

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1nc(N2CCCCC2)n[nH]1
InChIInChI=1S/C17H18BrN7O2/c18-11-4-5-13-12(8-11)15(27)25(10-19-13)9-14(26)20-16-21-17(23-22-16)24-6-2-1-3-7-24/h4-5,8,10H,1-3,6-7,9H2,(H2,20,21,22,23,26)
InChIKeySZBKQSFZIQDJHY-UHFFFAOYSA-N
MW432.28 g/mol
LogP1.91
Rot. Bonds4

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 56527596) has the molecular formula C17H18BrN7O2 and a molecular weight of 432.28 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID56527596
Molecular FormulaC17H18BrN7O2
Molecular Weight432.28 g/mol
Exact Mass431.07
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1nc(N2CCCCC2)n[nH]1
InChIInChI=1S/C17H18BrN7O2/c18-11-4-5-13-12(8-11)15(27)25(10-19-13)9-14(26)20-16-21-17(23-22-16)24-6-2-1-3-7-24/h4-5,8,10H,1-3,6-7,9H2,(H2,20,21,22,23,26)
InChIKeySZBKQSFZIQDJHY-UHFFFAOYSA-N
XLogP1.91
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 55379284
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CID 7886626
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CID 55718262
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CID 62050317
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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide (CID 56527596) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide is O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1nc(N2CCCCC2)n[nH]1.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is SZBKQSFZIQDJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN7O2/c18-11-4-5-13-12(8-11)15(27)25(10-19-13)9-14(26)20-16-21-17(23-22-16)24-6-2-1-3-7-24/h4-5,8,10H,1-3,6-7,9H2,(H2,20,21,22,23,26).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 432.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 56527596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).