3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide

C19H18FN3O — CID 109020977

IUPAC3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide
SMILESO=C(CCNCc1ccccc1F)Nc1cccc2cccnc12
InChIInChI=1S/C19H18FN3O/c20-16-8-2-1-5-15(16)13-21-12-10-18(24)23-17-9-3-6-14-7-4-11-22-19(14)17/h1-9,11,21H,10,12-13H2,(H,23,24)
InChIKeyNJLXPCLBAKEJGD-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.49
Rot. Bonds6

About 3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide

3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide (PubChem CID 109020977) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide
PubChem CID109020977
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide
SMILESO=C(CCNCc1ccccc1F)Nc1cccc2cccnc12
InChIInChI=1S/C19H18FN3O/c20-16-8-2-1-5-15(16)13-21-12-10-18(24)23-17-9-3-6-14-7-4-11-22-19(14)17/h1-9,11,21H,10,12-13H2,(H,23,24)
InChIKeyNJLXPCLBAKEJGD-UHFFFAOYSA-N
XLogP3.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide
CID 109024907
3-(2-ethylanilino)-N-quinolin-8-ylpropanamide
CID 109036237
3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide
CID 109025202
2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109135997
3-(1,3-benzodioxol-5-ylmethylamino)-N-quinolin-8-ylpropanamide
CID 109022845
3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide
CID 109020896
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea
CID 112970303
5-[2-(2-fluorophenyl)ethylamino]-N-quinolin-8-ylpyridine-2-carboxamide
CID 109192303
5-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpyridine-3-carboxamide
CID 109233513
2-(3-fluorophenyl)-N-quinolin-8-ylacetamide
CID 17466971
2-(2-fluorophenyl)-N-naphthalen-1-ylacetamide
CID 836511

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide?
The IUPAC name of 3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide (CID 109020977) is 3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide is O=C(CCNCc1ccccc1F)Nc1cccc2cccnc12.
What is the InChIKey of 3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide?
The InChIKey is NJLXPCLBAKEJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-16-8-2-1-5-15(16)13-21-12-10-18(24)23-17-9-3-6-14-7-4-11-22-19(14)17/h1-9,11,21H,10,12-13H2,(H,23,24).
What are the key properties of 3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide?
3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide has a molecular weight of 323.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 109020977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).