[2-(4-bromophenyl)quinolin-3-yl]-(4-methoxyphenyl)methanone

C23H16BrNO2 — CID 164676439

IUPAC[2-(4-bromophenyl)quinolin-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc3ccccc3nc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H16BrNO2/c1-27-19-12-8-16(9-13-19)23(26)20-14-17-4-2-3-5-21(17)25-22(20)15-6-10-18(24)11-7-15/h2-14H,1H3
InChIKeyQVUVKSPDSFMQTK-UHFFFAOYSA-N
MW418.29 g/mol
LogP5.90
Rot. Bonds4

About [2-(4-bromophenyl)quinolin-3-yl]-(4-methoxyphenyl)methanone

[2-(4-bromophenyl)quinolin-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 164676439) has the molecular formula C23H16BrNO2 and a molecular weight of 418.29 g/mol. Its IUPAC name is [2-(4-bromophenyl)quinolin-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-bromophenyl)quinolin-3-yl]-(4-methoxyphenyl)methanone
PubChem CID164676439
Molecular FormulaC23H16BrNO2
Molecular Weight418.29 g/mol
Exact Mass417.04
IUPAC Name[2-(4-bromophenyl)quinolin-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc3ccccc3nc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H16BrNO2/c1-27-19-12-8-16(9-13-19)23(26)20-14-17-4-2-3-5-21(17)25-22(20)15-6-10-18(24)11-7-15/h2-14H,1H3
InChIKeyQVUVKSPDSFMQTK-UHFFFAOYSA-N
XLogP5.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.29
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetyloxyphenyl)quinoline-3-carboxylic acid
CID 67205702
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
ethyl 3-(4-methoxybenzoyl)quinoline-2-carboxylate
CID 176908691
(4-nitrophenyl)-(2-phenylquinolin-3-yl)methanone
CID 137346253
(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107
2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline
CID 121258930
[2-(4-bromophenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone
CID 22753336
2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone
CID 5171342
(4-bromophenyl)-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone
CID 100980640
2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane
CID 145053980
1,5-bis(4-chlorophenyl)-3-[2-(4-methoxyphenyl)quinolin-3-yl]pentane-1,5-dione
CID 132563705
[2-(4-bromophenyl)-2-oxoethyl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
CID 23831685

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)quinolin-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-(4-bromophenyl)quinolin-3-yl]-(4-methoxyphenyl)methanone (CID 164676439) is [2-(4-bromophenyl)quinolin-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-(4-bromophenyl)quinolin-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-(4-bromophenyl)quinolin-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc3ccccc3nc2-c2ccc(Br)cc2)cc1.
What is the InChIKey of [2-(4-bromophenyl)quinolin-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is QVUVKSPDSFMQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrNO2/c1-27-19-12-8-16(9-13-19)23(26)20-14-17-4-2-3-5-21(17)25-22(20)15-6-10-18(24)11-7-15/h2-14H,1H3.
What are the key properties of [2-(4-bromophenyl)quinolin-3-yl]-(4-methoxyphenyl)methanone?
[2-(4-bromophenyl)quinolin-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 418.29 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)quinolin-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 164676439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).