2-bromo-5-methoxy-N-(8-methylquinolin-5-yl)benzamide

C18H15BrN2O2 — CID 38266685

IUPAC2-bromo-5-methoxy-N-(8-methylquinolin-5-yl)benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(C)c3ncccc23)c1
InChIInChI=1S/C18H15BrN2O2/c1-11-5-8-16(13-4-3-9-20-17(11)13)21-18(22)14-10-12(23-2)6-7-15(14)19/h3-10H,1-2H3,(H,21,22)
InChIKeyDUGJUIVXIYCVNI-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.57
Rot. Bonds3

About 2-bromo-5-methoxy-N-(8-methylquinolin-5-yl)benzamide

2-bromo-5-methoxy-N-(8-methylquinolin-5-yl)benzamide (PubChem CID 38266685) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-(8-methylquinolin-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-(8-methylquinolin-5-yl)benzamide
PubChem CID38266685
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name2-bromo-5-methoxy-N-(8-methylquinolin-5-yl)benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(C)c3ncccc23)c1
InChIInChI=1S/C18H15BrN2O2/c1-11-5-8-16(13-4-3-9-20-17(11)13)21-18(22)14-10-12(23-2)6-7-15(14)19/h3-10H,1-2H3,(H,21,22)
InChIKeyDUGJUIVXIYCVNI-UHFFFAOYSA-N
XLogP4.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-methoxy-N-(8-methylquinolin-5-yl)benzamide
CID 112812578
2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxybenzamide
CID 103909645
2-bromo-N-(5-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 2446537
2-bromo-N-(3-hydroxy-2-methylphenyl)-5-methoxybenzamide
CID 64793819
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 103274988
2-bromo-5-methoxy-N-(2,6,8-trimethylquinolin-4-yl)benzamide
CID 43853828
2,4,6-trimethyl-N-(8-methylquinolin-5-yl)benzamide
CID 112812579
3-(3,5-dimethoxyphenyl)-N-(8-methylquinolin-5-yl)propanamide
CID 38267727
N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide
CID 61292962
2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 114037696
2-amino-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 55138314
2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 51218207

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-(8-methylquinolin-5-yl)benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-(8-methylquinolin-5-yl)benzamide (CID 38266685) is 2-bromo-5-methoxy-N-(8-methylquinolin-5-yl)benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-(8-methylquinolin-5-yl)benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-(8-methylquinolin-5-yl)benzamide is COc1ccc(Br)c(C(=O)Nc2ccc(C)c3ncccc23)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-(8-methylquinolin-5-yl)benzamide?
The InChIKey is DUGJUIVXIYCVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-11-5-8-16(13-4-3-9-20-17(11)13)21-18(22)14-10-12(23-2)6-7-15(14)19/h3-10H,1-2H3,(H,21,22).
What are the key properties of 2-bromo-5-methoxy-N-(8-methylquinolin-5-yl)benzamide?
2-bromo-5-methoxy-N-(8-methylquinolin-5-yl)benzamide has a molecular weight of 371.23 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-(8-methylquinolin-5-yl)benzamide is sourced from PubChem (CID 38266685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).