6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide

C21H15F2N3O — CID 42750067

IUPAC6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
SMILESCn1cccc1-c1cc(C(=O)Nc2ccccc2F)c2cc(F)ccc2n1
InChIInChI=1S/C21H15F2N3O/c1-26-10-4-7-20(26)19-12-15(14-11-13(22)8-9-17(14)24-19)21(27)25-18-6-3-2-5-16(18)23/h2-12H,1H3,(H,25,27)
InChIKeyFUTHHCXRODTCGT-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.77
Rot. Bonds3

About 6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide

6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide (PubChem CID 42750067) has the molecular formula C21H15F2N3O and a molecular weight of 363.37 g/mol. Its IUPAC name is 6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
PubChem CID42750067
Molecular FormulaC21H15F2N3O
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
SMILESCn1cccc1-c1cc(C(=O)Nc2ccccc2F)c2cc(F)ccc2n1
InChIInChI=1S/C21H15F2N3O/c1-26-10-4-7-20(26)19-12-15(14-11-13(22)8-9-17(14)24-19)21(27)25-18-6-3-2-5-16(18)23/h2-12H,1H3,(H,25,27)
InChIKeyFUTHHCXRODTCGT-UHFFFAOYSA-N
XLogP4.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42750100
N-butan-2-yl-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42750065
N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 4563440
N-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42659190
N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 3959644
(4-benzylpiperazin-1-yl)-[6-fluoro-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone
CID 42750082
N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 3616650
6-methyl-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42749636
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 2165659
N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide
CID 42750116
N-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42749642
N-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798209

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide (CID 42750067) is 6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide is Cn1cccc1-c1cc(C(=O)Nc2ccccc2F)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
The InChIKey is FUTHHCXRODTCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O/c1-26-10-4-7-20(26)19-12-15(14-11-13(22)8-9-17(14)24-19)21(27)25-18-6-3-2-5-16(18)23/h2-12H,1H3,(H,25,27).
What are the key properties of 6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 42750067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).