4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide

C18H15BrN2O3 — CID 26706123

IUPAC4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide
SMILESCOc1cc(C(=O)Nc2cccc3ncccc23)cc(OC)c1Br
InChIInChI=1S/C18H15BrN2O3/c1-23-15-9-11(10-16(24-2)17(15)19)18(22)21-14-7-3-6-13-12(14)5-4-8-20-13/h3-10H,1-2H3,(H,21,22)
InChIKeyXQDRZWQQEAAQLO-UHFFFAOYSA-N
MW387.23 g/mol
LogP4.27
Rot. Bonds4

About 4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide

4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide (PubChem CID 26706123) has the molecular formula C18H15BrN2O3 and a molecular weight of 387.23 g/mol. Its IUPAC name is 4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide
PubChem CID26706123
Molecular FormulaC18H15BrN2O3
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC Name4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide
SMILESCOc1cc(C(=O)Nc2cccc3ncccc23)cc(OC)c1Br
InChIInChI=1S/C18H15BrN2O3/c1-23-15-9-11(10-16(24-2)17(15)19)18(22)21-14-7-3-6-13-12(14)5-4-8-20-13/h3-10H,1-2H3,(H,21,22)
InChIKeyXQDRZWQQEAAQLO-UHFFFAOYSA-N
XLogP4.27
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 17396837
3-bromo-4-methoxy-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 4027215
2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
CID 103751909
2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
CID 2782162
methyl N-quinolin-5-ylcarbamate
CID 110734012
1-quinolin-5-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 164620319
3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3933855
N-quinolin-5-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8873348
3-chloro-N-quinolin-5-ylbenzamide
CID 5127132
4-(methylamino)-N-quinolin-5-ylbenzamide
CID 62187273
4-(bromomethyl)-N-quinolin-5-ylbenzamide
CID 102850797
2-bromo-5-methyl-N-quinolin-5-ylbenzamide
CID 80955712

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide?
The IUPAC name of 4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide (CID 26706123) is 4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide?
The canonical SMILES for 4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide is COc1cc(C(=O)Nc2cccc3ncccc23)cc(OC)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide?
The InChIKey is XQDRZWQQEAAQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3/c1-23-15-9-11(10-16(24-2)17(15)19)18(22)21-14-7-3-6-13-12(14)5-4-8-20-13/h3-10H,1-2H3,(H,21,22).
What are the key properties of 4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide?
4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide has a molecular weight of 387.23 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 26706123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).