6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide

C19H17BrN2O2 — CID 46291475

IUPAC6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C)nc2ccc(Br)cc12
InChIInChI=1S/C19H17BrN2O2/c1-12-9-16(15-10-14(20)7-8-17(15)22-12)19(23)21-11-13-5-3-4-6-18(13)24-2/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyBXMXWLTXPMGGKA-UHFFFAOYSA-N
MW385.26 g/mol
LogP4.24
Rot. Bonds4

About 6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide

6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide (PubChem CID 46291475) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is 6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
PubChem CID46291475
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC Name6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C)nc2ccc(Br)cc12
InChIInChI=1S/C19H17BrN2O2/c1-12-9-16(15-10-14(20)7-8-17(15)22-12)19(23)21-11-13-5-3-4-6-18(13)24-2/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyBXMXWLTXPMGGKA-UHFFFAOYSA-N
XLogP4.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 46291486
6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 1261404
N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1261953
N-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798396
N-[(5-bromo-2-methoxyphenyl)methyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798336
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987
2-methoxy-N-[(2-methoxyphenyl)methyl]-3,5-dimethylbenzamide
CID 110762822
N-[(2-methoxyphenyl)methyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 110851542
2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 994293
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578050
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62152678

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide (CID 46291475) is 6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide is COc1ccccc1CNC(=O)c1cc(C)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
The InChIKey is BXMXWLTXPMGGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c1-12-9-16(15-10-14(20)7-8-17(15)22-12)19(23)21-11-13-5-3-4-6-18(13)24-2/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of 6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide has a molecular weight of 385.26 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 46291475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).