2-(1,2-dihydropyridin-3-yl)-6-(2-fluorophenyl)-8-methoxyquinolin-4-amine

C21H18FN3O — CID 123784197

IUPAC2-(1,2-dihydropyridin-3-yl)-6-(2-fluorophenyl)-8-methoxyquinolin-4-amine
SMILESCOc1cc(-c2ccccc2F)cc2c(N)cc(C3=CC=CNC3)nc12
InChIInChI=1S/C21H18FN3O/c1-26-20-10-14(15-6-2-3-7-17(15)22)9-16-18(23)11-19(25-21(16)20)13-5-4-8-24-12-13/h2-11,24H,12H2,1H3,(H2,23,25)
InChIKeyIQHSLCUFKSDKDE-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.13
Rot. Bonds3

About 2-(1,2-dihydropyridin-3-yl)-6-(2-fluorophenyl)-8-methoxyquinolin-4-amine

2-(1,2-dihydropyridin-3-yl)-6-(2-fluorophenyl)-8-methoxyquinolin-4-amine (PubChem CID 123784197) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-(1,2-dihydropyridin-3-yl)-6-(2-fluorophenyl)-8-methoxyquinolin-4-amine.

Molecular Properties

Compound Name2-(1,2-dihydropyridin-3-yl)-6-(2-fluorophenyl)-8-methoxyquinolin-4-amine
PubChem CID123784197
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name2-(1,2-dihydropyridin-3-yl)-6-(2-fluorophenyl)-8-methoxyquinolin-4-amine
SMILESCOc1cc(-c2ccccc2F)cc2c(N)cc(C3=CC=CNC3)nc12
InChIInChI=1S/C21H18FN3O/c1-26-20-10-14(15-6-2-3-7-17(15)22)9-16-18(23)11-19(25-21(16)20)13-5-4-8-24-12-13/h2-11,24H,12H2,1H3,(H2,23,25)
InChIKeyIQHSLCUFKSDKDE-UHFFFAOYSA-N
XLogP4.13
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxynitracrine
CID 154886
1,3-Propanediamine, N'-(4,5-dimethoxy-1-nitro-9-acridinyl)-N,N-dimethyl-
CID 374951
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
SK&F 96079
CID 196776
N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 16077296
N-(4-ethoxyphenyl)-2,6-dimethylquinolin-4-amine
CID 798218
8-Methoxyquinolin-4-amine
CID 16767485
4-Hydrazino-8-methoxy-2-methylquinoline
CID 460140
N-n-heptyl-7-methoxytacrine hydrochloride
CID 10496398
N-n-hexyl-7-methoxytacrine hydrochloride
CID 52941983
N-(2-Methoxybenzyl)-1,2,3,4-tetrahydroacridin-9-amine (8b)
CID 122199173
6-methoxy-N-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-amine
CID 4827389

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydropyridin-3-yl)-6-(2-fluorophenyl)-8-methoxyquinolin-4-amine?
The IUPAC name of 2-(1,2-dihydropyridin-3-yl)-6-(2-fluorophenyl)-8-methoxyquinolin-4-amine (CID 123784197) is 2-(1,2-dihydropyridin-3-yl)-6-(2-fluorophenyl)-8-methoxyquinolin-4-amine.
What is the SMILES notation for 2-(1,2-dihydropyridin-3-yl)-6-(2-fluorophenyl)-8-methoxyquinolin-4-amine?
The canonical SMILES for 2-(1,2-dihydropyridin-3-yl)-6-(2-fluorophenyl)-8-methoxyquinolin-4-amine is COc1cc(-c2ccccc2F)cc2c(N)cc(C3=CC=CNC3)nc12.
What is the InChIKey of 2-(1,2-dihydropyridin-3-yl)-6-(2-fluorophenyl)-8-methoxyquinolin-4-amine?
The InChIKey is IQHSLCUFKSDKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c1-26-20-10-14(15-6-2-3-7-17(15)22)9-16-18(23)11-19(25-21(16)20)13-5-4-8-24-12-13/h2-11,24H,12H2,1H3,(H2,23,25).
What are the key properties of 2-(1,2-dihydropyridin-3-yl)-6-(2-fluorophenyl)-8-methoxyquinolin-4-amine?
2-(1,2-dihydropyridin-3-yl)-6-(2-fluorophenyl)-8-methoxyquinolin-4-amine has a molecular weight of 347.39 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydropyridin-3-yl)-6-(2-fluorophenyl)-8-methoxyquinolin-4-amine is sourced from PubChem (CID 123784197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).