2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide

C20H15F2N3O — CID 118449048

IUPAC2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide
SMILESCNC(=O)c1cccc2nc(-c3c[nH]c4c(C)c(F)c(F)cc34)ccc12
InChIInChI=1S/C20H15F2N3O/c1-10-18(22)15(21)8-13-14(9-24-19(10)13)17-7-6-11-12(20(26)23-2)4-3-5-16(11)25-17/h3-9,24H,1-2H3,(H,23,26)
InChIKeyFOPXSCJSVAVXRT-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.33
Rot. Bonds2

About 2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide

2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide (PubChem CID 118449048) has the molecular formula C20H15F2N3O and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide.

Molecular Properties

Compound Name2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide
PubChem CID118449048
Molecular FormulaC20H15F2N3O
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide
SMILESCNC(=O)c1cccc2nc(-c3c[nH]c4c(C)c(F)c(F)cc34)ccc12
InChIInChI=1S/C20H15F2N3O/c1-10-18(22)15(21)8-13-14(9-24-19(10)13)17-7-6-11-12(20(26)23-2)4-3-5-16(11)25-17/h3-9,24H,1-2H3,(H,23,26)
InChIKeyFOPXSCJSVAVXRT-UHFFFAOYSA-N
XLogP4.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
CID 164616875
2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide
CID 126503010
N-(2,2-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
CID 164615514
1-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]propan-1-one
CID 160782222
2-(5,6-difluoro-1H-indol-3-yl)-N-iodoquinoline-5-carboxamide
CID 118449913
2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxylic acid
CID 118449027
2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;2-(5,6-dimethyl-3H-inden-1-yl)-5-fluoroquinoline;8-fluoro-2-(4-methyl-3H-inden-1-yl)quinoline;2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(6-methyl-1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline;hydrochloride
CID 158812362
[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol
CID 118449725
2-(7-fluoro-5-methyl-1H-indol-3-yl)quinoline
CID 118449025
5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline
CID 118449738
6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 11806724
5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline
CID 118449891

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide?
The IUPAC name of 2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide (CID 118449048) is 2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide.
What is the SMILES notation for 2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide?
The canonical SMILES for 2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide is CNC(=O)c1cccc2nc(-c3c[nH]c4c(C)c(F)c(F)cc34)ccc12.
What is the InChIKey of 2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide?
The InChIKey is FOPXSCJSVAVXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O/c1-10-18(22)15(21)8-13-14(9-24-19(10)13)17-7-6-11-12(20(26)23-2)4-3-5-16(11)25-17/h3-9,24H,1-2H3,(H,23,26).
What are the key properties of 2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide?
2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide is sourced from PubChem (CID 118449048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).