2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)ethenyl]quinoline-4-carboxylic acid

C22H19N5O3 — CID 86345770

IUPAC2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)ethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(/C=C/c2cn3ccnc(N4CCOCC4)c3n2)nc2ccccc12
InChIInChI=1S/C22H19N5O3/c28-22(29)18-13-15(24-19-4-2-1-3-17(18)19)5-6-16-14-27-8-7-23-20(21(27)25-16)26-9-11-30-12-10-26/h1-8,13-14H,9-12H2,(H,28,29)/b6-5+
InChIKeyYMCNDWSLVNYLPN-AATRIKPKSA-N
MW401.43 g/mol
LogP2.98
Rot. Bonds4

About 2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)ethenyl]quinoline-4-carboxylic acid

2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)ethenyl]quinoline-4-carboxylic acid (PubChem CID 86345770) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)ethenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)ethenyl]quinoline-4-carboxylic acid
PubChem CID86345770
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)ethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(/C=C/c2cn3ccnc(N4CCOCC4)c3n2)nc2ccccc12
InChIInChI=1S/C22H19N5O3/c28-22(29)18-13-15(24-19-4-2-1-3-17(18)19)5-6-16-14-27-8-7-23-20(21(27)25-16)26-9-11-30-12-10-26/h1-8,13-14H,9-12H2,(H,28,29)/b6-5+
InChIKeyYMCNDWSLVNYLPN-AATRIKPKSA-N
XLogP2.98
TPSA92.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)ethenyl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)ethenyl]quinoline-4-carboxylic acid (CID 86345770) is 2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)ethenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)ethenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)ethenyl]quinoline-4-carboxylic acid is O=C(O)c1cc(/C=C/c2cn3ccnc(N4CCOCC4)c3n2)nc2ccccc12.
What is the InChIKey of 2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)ethenyl]quinoline-4-carboxylic acid?
The InChIKey is YMCNDWSLVNYLPN-AATRIKPKSA-N. The full InChI is InChI=1S/C22H19N5O3/c28-22(29)18-13-15(24-19-4-2-1-3-17(18)19)5-6-16-14-27-8-7-23-20(21(27)25-16)26-9-11-30-12-10-26/h1-8,13-14H,9-12H2,(H,28,29)/b6-5+.
What are the key properties of 2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)ethenyl]quinoline-4-carboxylic acid?
2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)ethenyl]quinoline-4-carboxylic acid has a molecular weight of 401.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)ethenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 86345770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).