6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine

C23H19FN4 — CID 155372035

IUPAC6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
SMILESC=Cc1ccc(-c2ccc(N)c(NCc3ccc4ncccc4c3)n2)cc1F
InChIInChI=1S/C23H19FN4/c1-2-16-6-7-18(13-19(16)24)22-10-8-20(25)23(28-22)27-14-15-5-9-21-17(12-15)4-3-11-26-21/h2-13H,1,14,25H2,(H,27,28)
InChIKeyGYTCTGUNJHQKQW-UHFFFAOYSA-N
MW370.43 g/mol
LogP5.27
Rot. Bonds5

About 6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine

6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine (PubChem CID 155372035) has the molecular formula C23H19FN4 and a molecular weight of 370.43 g/mol. Its IUPAC name is 6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
PubChem CID155372035
Molecular FormulaC23H19FN4
Molecular Weight370.43 g/mol
Exact Mass370.16
IUPAC Name6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
SMILESC=Cc1ccc(-c2ccc(N)c(NCc3ccc4ncccc4c3)n2)cc1F
InChIInChI=1S/C23H19FN4/c1-2-16-6-7-18(13-19(16)24)22-10-8-20(25)23(28-22)27-14-15-5-9-21-17(12-15)4-3-11-26-21/h2-13H,1,14,25H2,(H,27,28)
InChIKeyGYTCTGUNJHQKQW-UHFFFAOYSA-N
XLogP5.27
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 155372052
6-[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 139325338
4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 123497239
6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 139321368
4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 139324816
2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine
CID 59627820
6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 123774945
[1-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]piperidin-4-yl]methanol
CID 139321582
6-chloro-3-nitro-2-N-(quinolin-6-ylmethyl)pyridine-2,4-diamine
CID 86671447
2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline
CID 28968475
4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline
CID 61470243
N-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-4-methoxybenzenesulfinamide
CID 155149978

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine?
The IUPAC name of 6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine (CID 155372035) is 6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine is C=Cc1ccc(-c2ccc(N)c(NCc3ccc4ncccc4c3)n2)cc1F.
What is the InChIKey of 6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine?
The InChIKey is GYTCTGUNJHQKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4/c1-2-16-6-7-18(13-19(16)24)22-10-8-20(25)23(28-22)27-14-15-5-9-21-17(12-15)4-3-11-26-21/h2-13H,1,14,25H2,(H,27,28).
What are the key properties of 6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine?
6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine has a molecular weight of 370.43 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 155372035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).