6-bromo-8-fluoro-N-methylquinoline-4-carboxamide

C11H8BrFN2O — CID 164570300

IUPAC6-bromo-8-fluoro-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1ccnc2c(F)cc(Br)cc12
InChIInChI=1S/C11H8BrFN2O/c1-14-11(16)7-2-3-15-10-8(7)4-6(12)5-9(10)13/h2-5H,1H3,(H,14,16)
InChIKeySMKKSSPKILSZSG-UHFFFAOYSA-N
MW283.10 g/mol
LogP2.50
Rot. Bonds1

About 6-bromo-8-fluoro-N-methylquinoline-4-carboxamide

6-bromo-8-fluoro-N-methylquinoline-4-carboxamide (PubChem CID 164570300) has the molecular formula C11H8BrFN2O and a molecular weight of 283.10 g/mol. Its IUPAC name is 6-bromo-8-fluoro-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-8-fluoro-N-methylquinoline-4-carboxamide
PubChem CID164570300
Molecular FormulaC11H8BrFN2O
Molecular Weight283.10 g/mol
Exact Mass281.98
IUPAC Name6-bromo-8-fluoro-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1ccnc2c(F)cc(Br)cc12
InChIInChI=1S/C11H8BrFN2O/c1-14-11(16)7-2-3-15-10-8(7)4-6(12)5-9(10)13/h2-5H,1H3,(H,14,16)
InChIKeySMKKSSPKILSZSG-UHFFFAOYSA-N
XLogP2.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12017524
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5-bromo-2-fluoro-N-methylpyridine-3-carboxamide
CID 74890483
7-bromo-N-methylnaphthalene-1-carboxamide
CID 178046455
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
5-bromo-N-methyl-2-(methylamino)benzamide
CID 130751837
5,6,8-trifluoroquinoline-4-carboxylic acid
CID 102941779
8-fluoro-N-methyl-2-prop-1-en-2-ylquinoline-5-carboxamide
CID 126544057
2-bromo-N-(4-bromo-2,6-difluorophenyl)pyridine-4-carboxamide
CID 103759038
2,4-dibromo-N-methylbenzamide
CID 54214948
8-(3-aminoprop-1-en-2-yl)-N-methylquinoline-4-carboxamide;ethane;methane
CID 144832127
4-bromo-8-fluoro-6-methylquinoline
CID 114764008

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-fluoro-N-methylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-8-fluoro-N-methylquinoline-4-carboxamide (CID 164570300) is 6-bromo-8-fluoro-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-8-fluoro-N-methylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-8-fluoro-N-methylquinoline-4-carboxamide is CNC(=O)c1ccnc2c(F)cc(Br)cc12.
What is the InChIKey of 6-bromo-8-fluoro-N-methylquinoline-4-carboxamide?
The InChIKey is SMKKSSPKILSZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O/c1-14-11(16)7-2-3-15-10-8(7)4-6(12)5-9(10)13/h2-5H,1H3,(H,14,16).
What are the key properties of 6-bromo-8-fluoro-N-methylquinoline-4-carboxamide?
6-bromo-8-fluoro-N-methylquinoline-4-carboxamide has a molecular weight of 283.10 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-fluoro-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 164570300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).