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

C24H22N4 — CID 155372052

IUPAC6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
SMILESC=Cc1ccc(-c2ccc(N)c(NCc3ccc4ncccc4c3)n2)cc1C
InChIInChI=1S/C24H22N4/c1-3-18-7-8-20(13-16(18)2)23-11-9-21(25)24(28-23)27-15-17-6-10-22-19(14-17)5-4-12-26-22/h3-14H,1,15,25H2,2H3,(H,27,28)
InChIKeyLHBRLSVSRIZFND-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.44
Rot. Bonds5

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

6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine (PubChem CID 155372052) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
PubChem CID155372052
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
SMILESC=Cc1ccc(-c2ccc(N)c(NCc3ccc4ncccc4c3)n2)cc1C
InChIInChI=1S/C24H22N4/c1-3-18-7-8-20(13-16(18)2)23-11-9-21(25)24(28-23)27-15-17-6-10-22-19(14-17)5-4-12-26-22/h3-14H,1,15,25H2,2H3,(H,27,28)
InChIKeyLHBRLSVSRIZFND-UHFFFAOYSA-N
XLogP5.44
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 155372035
6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 139321368
6-[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 139325338
2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine
CID 59627820
4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 123497239
6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 123774945
4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 139324816
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
N-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-4-methoxybenzenesulfinamide
CID 155149978
2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776204
4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide
CID 123969609
[1-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]piperidin-4-yl]methanol
CID 139321582

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine?
The IUPAC name of 6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine (CID 155372052) is 6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine is C=Cc1ccc(-c2ccc(N)c(NCc3ccc4ncccc4c3)n2)cc1C.
What is the InChIKey of 6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine?
The InChIKey is LHBRLSVSRIZFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-3-18-7-8-20(13-16(18)2)23-11-9-21(25)24(28-23)27-15-17-6-10-22-19(14-17)5-4-12-26-22/h3-14H,1,15,25H2,2H3,(H,27,28).
What are the key properties of 6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine?
6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine has a molecular weight of 366.47 g/mol, XLogP of 5.44, 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-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 155372052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).