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

C25H25N5O — CID 53465989

IUPAC(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyrazin-2-ylmethyl)propanamide
SMILESCc1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCc3cnccn3)cc2c1
InChIInChI=1S/C25H25N5O/c1-16-5-3-4-6-22(16)18-7-8-23-19(12-18)13-20(24(26)30-23)11-17(2)25(31)29-15-21-14-27-9-10-28-21/h3-10,12-14,17H,11,15H2,1-2H3,(H2,26,30)(H,29,31)/t17-/m1/s1
InChIKeyYENQOHPBORWMLX-QGZVFWFLSA-N
MW411.51 g/mol
LogP4.08
Rot. Bonds6

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

(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyrazin-2-ylmethyl)propanamide (PubChem CID 53465989) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyrazin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyrazin-2-ylmethyl)propanamide
PubChem CID53465989
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyrazin-2-ylmethyl)propanamide
SMILESCc1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCc3cnccn3)cc2c1
InChIInChI=1S/C25H25N5O/c1-16-5-3-4-6-22(16)18-7-8-23-19(12-18)13-20(24(26)30-23)11-17(2)25(31)29-15-21-14-27-9-10-28-21/h3-10,12-14,17H,11,15H2,1-2H3,(H2,26,30)(H,29,31)/t17-/m1/s1
InChIKeyYENQOHPBORWMLX-QGZVFWFLSA-N
XLogP4.08
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyrazin-2-ylmethyl)propanamide?
The IUPAC name of (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyrazin-2-ylmethyl)propanamide (CID 53465989) is (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyrazin-2-ylmethyl)propanamide.
What is the SMILES notation for (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyrazin-2-ylmethyl)propanamide?
The canonical SMILES for (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyrazin-2-ylmethyl)propanamide is Cc1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCc3cnccn3)cc2c1.
What is the InChIKey of (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyrazin-2-ylmethyl)propanamide?
The InChIKey is YENQOHPBORWMLX-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H25N5O/c1-16-5-3-4-6-22(16)18-7-8-23-19(12-18)13-20(24(26)30-23)11-17(2)25(31)29-15-21-14-27-9-10-28-21/h3-10,12-14,17H,11,15H2,1-2H3,(H2,26,30)(H,29,31)/t17-/m1/s1.
What are the key properties of (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyrazin-2-ylmethyl)propanamide?
(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyrazin-2-ylmethyl)propanamide has a molecular weight of 411.51 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyrazin-2-ylmethyl)propanamide is sourced from PubChem (CID 53465989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).