3-amino-N-[[3-(2-methylphenyl)quinolin-2-yl]methyl]-5-morpholin-4-ylpyrazine-2-carboxamide

C26H26N6O2 — CID 56944702

IUPAC3-amino-N-[[3-(2-methylphenyl)quinolin-2-yl]methyl]-5-morpholin-4-ylpyrazine-2-carboxamide
SMILESCc1ccccc1-c1cc2ccccc2nc1CNC(=O)c1ncc(N2CCOCC2)nc1N
InChIInChI=1S/C26H26N6O2/c1-17-6-2-4-8-19(17)20-14-18-7-3-5-9-21(18)30-22(20)15-29-26(33)24-25(27)31-23(16-28-24)32-10-12-34-13-11-32/h2-9,14,16H,10-13,15H2,1H3,(H2,27,31)(H,29,33)
InChIKeySKNMXSIWJLGFRO-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.35
Rot. Bonds5

About 3-amino-N-[[3-(2-methylphenyl)quinolin-2-yl]methyl]-5-morpholin-4-ylpyrazine-2-carboxamide

3-amino-N-[[3-(2-methylphenyl)quinolin-2-yl]methyl]-5-morpholin-4-ylpyrazine-2-carboxamide (PubChem CID 56944702) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-amino-N-[[3-(2-methylphenyl)quinolin-2-yl]methyl]-5-morpholin-4-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[3-(2-methylphenyl)quinolin-2-yl]methyl]-5-morpholin-4-ylpyrazine-2-carboxamide
PubChem CID56944702
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name3-amino-N-[[3-(2-methylphenyl)quinolin-2-yl]methyl]-5-morpholin-4-ylpyrazine-2-carboxamide
SMILESCc1ccccc1-c1cc2ccccc2nc1CNC(=O)c1ncc(N2CCOCC2)nc1N
InChIInChI=1S/C26H26N6O2/c1-17-6-2-4-8-19(17)20-14-18-7-3-5-9-21(18)30-22(20)15-29-26(33)24-25(27)31-23(16-28-24)32-10-12-34-13-11-32/h2-9,14,16H,10-13,15H2,1H3,(H2,27,31)(H,29,33)
InChIKeySKNMXSIWJLGFRO-UHFFFAOYSA-N
XLogP3.35
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(2-methylphenyl)quinolin-2-yl]methyl]-5-morpholin-4-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[3-(2-methylphenyl)quinolin-2-yl]methyl]-5-morpholin-4-ylpyrazine-2-carboxamide (CID 56944702) is 3-amino-N-[[3-(2-methylphenyl)quinolin-2-yl]methyl]-5-morpholin-4-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[3-(2-methylphenyl)quinolin-2-yl]methyl]-5-morpholin-4-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[3-(2-methylphenyl)quinolin-2-yl]methyl]-5-morpholin-4-ylpyrazine-2-carboxamide is Cc1ccccc1-c1cc2ccccc2nc1CNC(=O)c1ncc(N2CCOCC2)nc1N.
What is the InChIKey of 3-amino-N-[[3-(2-methylphenyl)quinolin-2-yl]methyl]-5-morpholin-4-ylpyrazine-2-carboxamide?
The InChIKey is SKNMXSIWJLGFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-17-6-2-4-8-19(17)20-14-18-7-3-5-9-21(18)30-22(20)15-29-26(33)24-25(27)31-23(16-28-24)32-10-12-34-13-11-32/h2-9,14,16H,10-13,15H2,1H3,(H2,27,31)(H,29,33).
What are the key properties of 3-amino-N-[[3-(2-methylphenyl)quinolin-2-yl]methyl]-5-morpholin-4-ylpyrazine-2-carboxamide?
3-amino-N-[[3-(2-methylphenyl)quinolin-2-yl]methyl]-5-morpholin-4-ylpyrazine-2-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-(2-methylphenyl)quinolin-2-yl]methyl]-5-morpholin-4-ylpyrazine-2-carboxamide is sourced from PubChem (CID 56944702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).