2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide

C27H24F2N4O — CID 58154754

IUPAC2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide
SMILESO=C(Nc1ccc(CN2CCCC2)cn1)c1cccc2ccc(-c3cccc(C(F)F)c3)nc12
InChIInChI=1S/C27H24F2N4O/c28-26(29)21-7-3-6-20(15-21)23-11-10-19-5-4-8-22(25(19)31-23)27(34)32-24-12-9-18(16-30-24)17-33-13-1-2-14-33/h3-12,15-16,26H,1-2,13-14,17H2,(H,30,32,34)
InChIKeyCUSRRQQRWBGGEG-UHFFFAOYSA-N
MW458.51 g/mol
LogP6.08
Rot. Bonds6

About 2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide

2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide (PubChem CID 58154754) has the molecular formula C27H24F2N4O and a molecular weight of 458.51 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide
PubChem CID58154754
Molecular FormulaC27H24F2N4O
Molecular Weight458.51 g/mol
Exact Mass458.19
IUPAC Name2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide
SMILESO=C(Nc1ccc(CN2CCCC2)cn1)c1cccc2ccc(-c3cccc(C(F)F)c3)nc12
InChIInChI=1S/C27H24F2N4O/c28-26(29)21-7-3-6-20(15-21)23-11-10-19-5-4-8-22(25(19)31-23)27(34)32-24-12-9-18(16-30-24)17-33-13-1-2-14-33/h3-12,15-16,26H,1-2,13-14,17H2,(H,30,32,34)
InChIKeyCUSRRQQRWBGGEG-UHFFFAOYSA-N
XLogP6.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.51
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(difluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide
CID 58154511
N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
CID 58154750
2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide
CID 58154715
N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide
CID 44553756
2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid
CID 155919687
3-(3-chlorophenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide
CID 75469948
2-phenyl-N-pyrazin-2-ylquinoline-8-carboxamide
CID 44555104
N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide
CID 75469956
4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine
CID 95123778
N-pyrazin-2-yl-8-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-2-carboxamide
CID 70853008
1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzimidazole-4-carboxamide
CID 67207570
N,N-dimethyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]aniline
CID 74247167

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide?
The IUPAC name of 2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide (CID 58154754) is 2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide.
What is the SMILES notation for 2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide?
The canonical SMILES for 2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide is O=C(Nc1ccc(CN2CCCC2)cn1)c1cccc2ccc(-c3cccc(C(F)F)c3)nc12.
What is the InChIKey of 2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide?
The InChIKey is CUSRRQQRWBGGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N4O/c28-26(29)21-7-3-6-20(15-21)23-11-10-19-5-4-8-22(25(19)31-23)27(34)32-24-12-9-18(16-30-24)17-33-13-1-2-14-33/h3-12,15-16,26H,1-2,13-14,17H2,(H,30,32,34).
What are the key properties of 2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide?
2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide has a molecular weight of 458.51 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide is sourced from PubChem (CID 58154754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).