3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide

C26H26N4O — CID 53465918

IUPAC3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1ccccc1-c1ccc2nc(N)c(CC(C)C(=O)NCc3cccnc3)cc2c1
InChIInChI=1S/C26H26N4O/c1-17-6-3-4-8-23(17)20-9-10-24-21(13-20)14-22(25(27)30-24)12-18(2)26(31)29-16-19-7-5-11-28-15-19/h3-11,13-15,18H,12,16H2,1-2H3,(H2,27,30)(H,29,31)
InChIKeyNPNWFUIRKKRIEZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.68
Rot. Bonds6

About 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide

3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 53465918) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID53465918
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1ccccc1-c1ccc2nc(N)c(CC(C)C(=O)NCc3cccnc3)cc2c1
InChIInChI=1S/C26H26N4O/c1-17-6-3-4-8-23(17)20-9-10-24-21(13-20)14-22(25(27)30-24)12-18(2)26(31)29-16-19-7-5-11-28-15-19/h3-11,13-15,18H,12,16H2,1-2H3,(H2,27,30)(H,29,31)
InChIKeyNPNWFUIRKKRIEZ-UHFFFAOYSA-N
XLogP4.68
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide (CID 53465918) is 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide is Cc1ccccc1-c1ccc2nc(N)c(CC(C)C(=O)NCc3cccnc3)cc2c1.
What is the InChIKey of 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is NPNWFUIRKKRIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-17-6-3-4-8-23(17)20-9-10-24-21(13-20)14-22(25(27)30-24)12-18(2)26(31)29-16-19-7-5-11-28-15-19/h3-11,13-15,18H,12,16H2,1-2H3,(H2,27,30)(H,29,31).
What are the key properties of 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 410.52 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 53465918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).