2-[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]acetamide

C15H17BrN4O — CID 133356012

IUPAC2-[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(c2ncnc3ccc(Br)cc23)C1
InChIInChI=1S/C15H17BrN4O/c16-11-3-4-13-12(7-11)15(19-9-18-13)20-5-1-2-10(8-20)6-14(17)21/h3-4,7,9-10H,1-2,5-6,8H2,(H2,17,21)
InChIKeyCQLWWPLFEHBVEF-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.48
Rot. Bonds3

About 2-[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]acetamide

2-[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]acetamide (PubChem CID 133356012) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]acetamide
PubChem CID133356012
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name2-[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(c2ncnc3ccc(Br)cc23)C1
InChIInChI=1S/C15H17BrN4O/c16-11-3-4-13-12(7-11)15(19-9-18-13)20-5-1-2-10(8-20)6-14(17)21/h3-4,7,9-10H,1-2,5-6,8H2,(H2,17,21)
InChIKeyCQLWWPLFEHBVEF-UHFFFAOYSA-N
XLogP2.48
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide
CID 133355987
[1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol
CID 67476126
6-bromo-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)quinazoline
CID 175652074
methyl 2-[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-2-hydroxyacetate
CID 133398939
4-[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444254
(3S)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 94184844
2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133403773
ethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate
CID 124514606
2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide
CID 133355934
N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62593559
4-amino-1-(6-bromoquinazolin-4-yl)pyrrolidin-2-one
CID 168700953
2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide
CID 127266551

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]acetamide (CID 133356012) is 2-[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]acetamide is NC(=O)CC1CCCN(c2ncnc3ccc(Br)cc23)C1.
What is the InChIKey of 2-[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is CQLWWPLFEHBVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c16-11-3-4-13-12(7-11)15(19-9-18-13)20-5-1-2-10(8-20)6-14(17)21/h3-4,7,9-10H,1-2,5-6,8H2,(H2,17,21).
What are the key properties of 2-[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]acetamide?
2-[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 349.23 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 133356012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).