1-(2-amino-5-bromophenyl)-2-quinolin-4-ylethanone

C17H13BrN2O — CID 82697873

IUPAC1-(2-amino-5-bromophenyl)-2-quinolin-4-ylethanone
SMILESNc1ccc(Br)cc1C(=O)Cc1ccnc2ccccc12
InChIInChI=1S/C17H13BrN2O/c18-12-5-6-15(19)14(10-12)17(21)9-11-7-8-20-16-4-2-1-3-13(11)16/h1-8,10H,9,19H2
InChIKeyPTOYQMHYOUUWKR-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.00
Rot. Bonds3

About 1-(2-amino-5-bromophenyl)-2-quinolin-4-ylethanone

1-(2-amino-5-bromophenyl)-2-quinolin-4-ylethanone (PubChem CID 82697873) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)-2-quinolin-4-ylethanone.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)-2-quinolin-4-ylethanone
PubChem CID82697873
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name1-(2-amino-5-bromophenyl)-2-quinolin-4-ylethanone
SMILESNc1ccc(Br)cc1C(=O)Cc1ccnc2ccccc12
InChIInChI=1S/C17H13BrN2O/c18-12-5-6-15(19)14(10-12)17(21)9-11-7-8-20-16-4-2-1-3-13(11)16/h1-8,10H,9,19H2
InChIKeyPTOYQMHYOUUWKR-UHFFFAOYSA-N
XLogP4.00
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone
CID 116581336
1-(2-iodophenyl)-2-quinolin-4-ylethanone
CID 114979720
1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone
CID 116601824
1-(2-methoxyphenyl)-2-quinolin-4-ylethanone
CID 11380387
1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone
CID 114979659
1-(4-iodophenyl)-2-quinolin-4-ylethanone
CID 114979738
1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone
CID 82703996
1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone
CID 105109033
2,4-dibromo-N-(quinolin-4-ylmethyl)aniline
CID 63868656
1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone
CID 82704146
4-bromo-2-chloro-N-(quinolin-4-ylmethyl)aniline
CID 63866864
1-(3-aminophenyl)-3-quinolin-4-ylpropan-2-one
CID 116577142

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)-2-quinolin-4-ylethanone?
The IUPAC name of 1-(2-amino-5-bromophenyl)-2-quinolin-4-ylethanone (CID 82697873) is 1-(2-amino-5-bromophenyl)-2-quinolin-4-ylethanone.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)-2-quinolin-4-ylethanone?
The canonical SMILES for 1-(2-amino-5-bromophenyl)-2-quinolin-4-ylethanone is Nc1ccc(Br)cc1C(=O)Cc1ccnc2ccccc12.
What is the InChIKey of 1-(2-amino-5-bromophenyl)-2-quinolin-4-ylethanone?
The InChIKey is PTOYQMHYOUUWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c18-12-5-6-15(19)14(10-12)17(21)9-11-7-8-20-16-4-2-1-3-13(11)16/h1-8,10H,9,19H2.
What are the key properties of 1-(2-amino-5-bromophenyl)-2-quinolin-4-ylethanone?
1-(2-amino-5-bromophenyl)-2-quinolin-4-ylethanone has a molecular weight of 341.21 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromophenyl)-2-quinolin-4-ylethanone is sourced from PubChem (CID 82697873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).