2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide

C21H18FN3O2 — CID 109135997

IUPAC2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
SMILESO=C(NCc1ccccc1F)C1CC1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C21H18FN3O2/c22-17-8-2-1-5-14(17)12-24-20(26)15-11-16(15)21(27)25-18-9-3-6-13-7-4-10-23-19(13)18/h1-10,15-16H,11-12H2,(H,24,26)(H,25,27)
InChIKeyFYNLBPABBOUSGN-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.26
Rot. Bonds5

About 2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide

2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide (PubChem CID 109135997) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
PubChem CID109135997
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
SMILESO=C(NCc1ccccc1F)C1CC1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C21H18FN3O2/c22-17-8-2-1-5-14(17)12-24-20(26)15-11-16(15)21(27)25-18-9-3-6-13-7-4-10-23-19(13)18/h1-10,15-16H,11-12H2,(H,24,26)(H,25,27)
InChIKeyFYNLBPABBOUSGN-UHFFFAOYSA-N
XLogP3.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109144099
1-N-(2-fluorophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135951
1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144098
2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109140873
3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide
CID 109020977
1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008377
1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109141882
(3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 175826709
1-N-[2,6-di(propan-2-yl)phenyl]-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135996
2-(pyrrolidine-1-carbonyl)-N-quinolin-8-ylcyclopropane-1-carboxamide
CID 109131957
1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109135854
N-[(2-fluorophenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109135911

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide (CID 109135997) is 2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide is O=C(NCc1ccccc1F)C1CC1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
The InChIKey is FYNLBPABBOUSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-17-8-2-1-5-14(17)12-24-20(26)15-11-16(15)21(27)25-18-9-3-6-13-7-4-10-23-19(13)18/h1-10,15-16H,11-12H2,(H,24,26)(H,25,27).
What are the key properties of 2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide has a molecular weight of 363.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).