2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide

C21H14FN3O — CID 126503010

IUPAC2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide
SMILESC#Cc1cc(F)cc2c(-c3ccc4c(C(=O)NC)cccc4n3)c[nH]c12
InChIInChI=1S/C21H14FN3O/c1-3-12-9-13(22)10-16-17(11-24-20(12)16)19-8-7-14-15(21(26)23-2)5-4-6-18(14)25-19/h1,4-11,24H,2H3,(H,23,26)
InChIKeyVEMVMGBPGAPWQV-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.86
Rot. Bonds2

About 2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide

2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide (PubChem CID 126503010) has the molecular formula C21H14FN3O and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide.

Molecular Properties

Compound Name2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide
PubChem CID126503010
Molecular FormulaC21H14FN3O
Molecular Weight343.36 g/mol
Exact Mass343.11
IUPAC Name2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide
SMILESC#Cc1cc(F)cc2c(-c3ccc4c(C(=O)NC)cccc4n3)c[nH]c12
InChIInChI=1S/C21H14FN3O/c1-3-12-9-13(22)10-16-17(11-24-20(12)16)19-8-7-14-15(21(26)23-2)5-4-6-18(14)25-19/h1,4-11,24H,2H3,(H,23,26)
InChIKeyVEMVMGBPGAPWQV-UHFFFAOYSA-N
XLogP3.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide
CID 118449048
2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxylic acid
CID 118449027
N-tert-butyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
CID 164616875
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
5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline
CID 118449891
1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one
CID 160546260
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
N-methyl-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline-5-carboxamide
CID 126543972
5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline
CID 118449738

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide?
The IUPAC name of 2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide (CID 126503010) is 2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide.
What is the SMILES notation for 2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide?
The canonical SMILES for 2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide is C#Cc1cc(F)cc2c(-c3ccc4c(C(=O)NC)cccc4n3)c[nH]c12.
What is the InChIKey of 2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide?
The InChIKey is VEMVMGBPGAPWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O/c1-3-12-9-13(22)10-16-17(11-24-20(12)16)19-8-7-14-15(21(26)23-2)5-4-6-18(14)25-19/h1,4-11,24H,2H3,(H,23,26).
What are the key properties of 2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide?
2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide is sourced from PubChem (CID 126503010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).