(5-bromo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone

C20H18BrNO5 — CID 56925462

IUPAC(5-bromo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc3c(Br)c(OC)ccc3n2)cc(OC)c1OC
InChIInChI=1S/C20H18BrNO5/c1-24-15-8-7-13-12(18(15)21)5-6-14(22-13)19(23)11-9-16(25-2)20(27-4)17(10-11)26-3/h5-10H,1-4H3
InChIKeyPIFFHHMKOMMSNQ-UHFFFAOYSA-N
MW432.27 g/mol
LogP4.26
Rot. Bonds6

About (5-bromo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone

(5-bromo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 56925462) has the molecular formula C20H18BrNO5 and a molecular weight of 432.27 g/mol. Its IUPAC name is (5-bromo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID56925462
Molecular FormulaC20H18BrNO5
Molecular Weight432.27 g/mol
Exact Mass431.04
IUPAC Name(5-bromo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc3c(Br)c(OC)ccc3n2)cc(OC)c1OC
InChIInChI=1S/C20H18BrNO5/c1-24-15-8-7-13-12(18(15)21)5-6-14(22-13)19(23)11-9-16(25-2)20(27-4)17(10-11)26-3/h5-10H,1-4H3
InChIKeyPIFFHHMKOMMSNQ-UHFFFAOYSA-N
XLogP4.26
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.27
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-bromo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone with MolForge

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Related Compounds

CID 45139825
CID 45139825
6-Bromo-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid
CID 998076
Quinolin-2-yl-(3,4,5-trimethoxyphenyl)methanone
CID 21815820
(6-Methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 45139822
(2-Methoxyquinolin-6-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 45139824
(6-Phenylpyridin-2-yl)(3,4,5-trimethoxyphenyl)methanone
CID 53361672
(5-Chloro-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 56925461
(5-Iodo-6-methoxy-2-quinolinyl)(3,4,5-trimethoxyphenyl)methanone
CID 56925463
(5-Hydroxy-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 136058427
2-(3,4,5-Trimethoxyphenyl)quinoline-4-carboxylic acid
CID 718631
(2-Hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxyquinolin-2-yl)methanone
CID 122182219
[6-(4-Fluorophenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
CID 155518956

Frequently Asked Questions

What is the IUPAC name of (5-bromo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (5-bromo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 56925462) is (5-bromo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (5-bromo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (5-bromo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccc3c(Br)c(OC)ccc3n2)cc(OC)c1OC.
What is the InChIKey of (5-bromo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is PIFFHHMKOMMSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO5/c1-24-15-8-7-13-12(18(15)21)5-6-14(22-13)19(23)11-9-16(25-2)20(27-4)17(10-11)26-3/h5-10H,1-4H3.
What are the key properties of (5-bromo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(5-bromo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 432.27 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 56925462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).