(4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone

C18H14BrNO — CID 114329586

IUPAC(4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone
SMILESCc1cc(C(=O)c2cccc3ncccc23)cc(C)c1Br
InChIInChI=1S/C18H14BrNO/c1-11-9-13(10-12(2)17(11)19)18(21)15-5-3-7-16-14(15)6-4-8-20-16/h3-10H,1-2H3
InChIKeyIJLNLZFFXHWHHT-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.85
Rot. Bonds2

About (4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone

(4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone (PubChem CID 114329586) has the molecular formula C18H14BrNO and a molecular weight of 340.22 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone
PubChem CID114329586
Molecular FormulaC18H14BrNO
Molecular Weight340.22 g/mol
Exact Mass339.03
IUPAC Name(4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone
SMILESCc1cc(C(=O)c2cccc3ncccc23)cc(C)c1Br
InChIInChI=1S/C18H14BrNO/c1-11-9-13(10-12(2)17(11)19)18(21)15-5-3-7-16-14(15)6-4-8-20-16/h3-10H,1-2H3
InChIKeyIJLNLZFFXHWHHT-UHFFFAOYSA-N
XLogP4.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
CID 81220476
(3-fluorophenyl)-quinolin-5-ylmethanone
CID 81216607
(4-iodophenyl)-quinolin-5-ylmethanone
CID 115604846
(4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone
CID 114329700
(4-ethylphenyl)-quinolin-5-ylmethanone
CID 78917797
(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone
CID 114329761
(2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone
CID 115789832
(2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone
CID 115789842
(4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone
CID 115789920
(3-bromofuran-2-yl)-quinolin-5-ylmethanone
CID 105101672
(3-methyltriazol-4-yl)-quinolin-5-ylmethanone
CID 105131406
(2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone
CID 105121153

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone (CID 114329586) is (4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone is Cc1cc(C(=O)c2cccc3ncccc23)cc(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone?
The InChIKey is IJLNLZFFXHWHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO/c1-11-9-13(10-12(2)17(11)19)18(21)15-5-3-7-16-14(15)6-4-8-20-16/h3-10H,1-2H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone?
(4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone has a molecular weight of 340.22 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone is sourced from PubChem (CID 114329586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).