2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide

C24H24FN3O2 — CID 110251578

IUPAC2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
SMILESCN(C)C(=O)c1cc(C2CCN(C(=O)Cc3ccc(F)cc3)C2)nc2ccccc12
InChIInChI=1S/C24H24FN3O2/c1-27(2)24(30)20-14-22(26-21-6-4-3-5-19(20)21)17-11-12-28(15-17)23(29)13-16-7-9-18(25)10-8-16/h3-10,14,17H,11-13,15H2,1-2H3
InChIKeyAJFYIIOWOFGKOJ-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.63
Rot. Bonds4

About 2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide

2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide (PubChem CID 110251578) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
PubChem CID110251578
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
SMILESCN(C)C(=O)c1cc(C2CCN(C(=O)Cc3ccc(F)cc3)C2)nc2ccccc12
InChIInChI=1S/C24H24FN3O2/c1-27(2)24(30)20-14-22(26-21-6-4-3-5-19(20)21)17-11-12-28(15-17)23(29)13-16-7-9-18(25)10-8-16/h3-10,14,17H,11-13,15H2,1-2H3
InChIKeyAJFYIIOWOFGKOJ-UHFFFAOYSA-N
XLogP3.63
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 92636960
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide
CID 110251577
N,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636928
2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide
CID 95812989
1-[(3S)-3-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 92636312
2-[(3R)-1-[3-(N-ethyl-4-fluoroanilino)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide
CID 92638550
2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 92638686
N,N-dimethyl-2-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251428
N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide
CID 95812995
N,N-dimethyl-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251426
2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636924
2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide
CID 92638738

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide?
The IUPAC name of 2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide (CID 110251578) is 2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide.
What is the SMILES notation for 2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide?
The canonical SMILES for 2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide is CN(C)C(=O)c1cc(C2CCN(C(=O)Cc3ccc(F)cc3)C2)nc2ccccc12.
What is the InChIKey of 2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide?
The InChIKey is AJFYIIOWOFGKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-27(2)24(30)20-14-22(26-21-6-4-3-5-19(20)21)17-11-12-28(15-17)23(29)13-16-7-9-18(25)10-8-16/h3-10,14,17H,11-13,15H2,1-2H3.
What are the key properties of 2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide?
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 110251578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).