N-(3-bromoquinolin-8-yl)-2-(tetrazol-1-yl)acetamide

C12H9BrN6O — CID 116784723

IUPACN-(3-bromoquinolin-8-yl)-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C12H9BrN6O/c13-9-4-8-2-1-3-10(12(8)14-5-9)16-11(20)6-19-7-15-17-18-19/h1-5,7H,6H2,(H,16,20)
InChIKeyWQQRUSGAUJNITL-UHFFFAOYSA-N
MW333.15 g/mol
LogP1.62
Rot. Bonds3

About N-(3-bromoquinolin-8-yl)-2-(tetrazol-1-yl)acetamide

N-(3-bromoquinolin-8-yl)-2-(tetrazol-1-yl)acetamide (PubChem CID 116784723) has the molecular formula C12H9BrN6O and a molecular weight of 333.15 g/mol. Its IUPAC name is N-(3-bromoquinolin-8-yl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromoquinolin-8-yl)-2-(tetrazol-1-yl)acetamide
PubChem CID116784723
Molecular FormulaC12H9BrN6O
Molecular Weight333.15 g/mol
Exact Mass332.00
IUPAC NameN-(3-bromoquinolin-8-yl)-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C12H9BrN6O/c13-9-4-8-2-1-3-10(12(8)14-5-9)16-11(20)6-19-7-15-17-18-19/h1-5,7H,6H2,(H,16,20)
InChIKeyWQQRUSGAUJNITL-UHFFFAOYSA-N
XLogP1.62
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.15
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-aminopyrazol-1-yl)-N-(3-bromoquinolin-8-yl)acetamide
CID 116782974
N-(3-bromoquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 116784396
N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 116784420
4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide
CID 116784378
N-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208586
4-bromo-N-(3-bromoquinolin-8-yl)benzamide
CID 116784626
2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide
CID 116784341
N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 116784789
N-(3-bromoquinolin-8-yl)-2-hydroxybenzamide
CID 116784757
N-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide
CID 116784337
N-(3-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide
CID 28739859
N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoquinolin-8-yl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(3-bromoquinolin-8-yl)-2-(tetrazol-1-yl)acetamide (CID 116784723) is N-(3-bromoquinolin-8-yl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(3-bromoquinolin-8-yl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(3-bromoquinolin-8-yl)-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)Nc1cccc2cc(Br)cnc12.
What is the InChIKey of N-(3-bromoquinolin-8-yl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is WQQRUSGAUJNITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN6O/c13-9-4-8-2-1-3-10(12(8)14-5-9)16-11(20)6-19-7-15-17-18-19/h1-5,7H,6H2,(H,16,20).
What are the key properties of N-(3-bromoquinolin-8-yl)-2-(tetrazol-1-yl)acetamide?
N-(3-bromoquinolin-8-yl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 333.15 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoquinolin-8-yl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 116784723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).