7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide

C23H23F2N3O — CID 131908439

IUPAC7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC(c2ccccc2F)N2CCCC2)c2ccc(F)cc2n1
InChIInChI=1S/C23H23F2N3O/c1-15-12-19(17-9-8-16(24)13-21(17)27-15)23(29)26-14-22(28-10-4-5-11-28)18-6-2-3-7-20(18)25/h2-3,6-9,12-13,22H,4-5,10-11,14H2,1H3,(H,26,29)
InChIKeyRNEXJMKDDWXURE-UHFFFAOYSA-N
MW395.45 g/mol
LogP4.39
Rot. Bonds5

About 7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide

7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide (PubChem CID 131908439) has the molecular formula C23H23F2N3O and a molecular weight of 395.45 g/mol. Its IUPAC name is 7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide
PubChem CID131908439
Molecular FormulaC23H23F2N3O
Molecular Weight395.45 g/mol
Exact Mass395.18
IUPAC Name7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC(c2ccccc2F)N2CCCC2)c2ccc(F)cc2n1
InChIInChI=1S/C23H23F2N3O/c1-15-12-19(17-9-8-16(24)13-21(17)27-15)23(29)26-14-22(28-10-4-5-11-28)18-6-2-3-7-20(18)25/h2-3,6-9,12-13,22H,4-5,10-11,14H2,1H3,(H,26,29)
InChIKeyRNEXJMKDDWXURE-UHFFFAOYSA-N
XLogP4.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91829882
5-fluoro-2-hydroxy-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 95787960
2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 125164934
2-bromo-4-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 24686009
N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95148410
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303
2-ethyl-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
CID 72935954
N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 125158769
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylquinoline-4-carboxamide
CID 18161323
N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 92581576
N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97124934
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide (CID 131908439) is 7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCC(c2ccccc2F)N2CCCC2)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide?
The InChIKey is RNEXJMKDDWXURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O/c1-15-12-19(17-9-8-16(24)13-21(17)27-15)23(29)26-14-22(28-10-4-5-11-28)18-6-2-3-7-20(18)25/h2-3,6-9,12-13,22H,4-5,10-11,14H2,1H3,(H,26,29).
What are the key properties of 7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide?
7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide has a molecular weight of 395.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 131908439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).