[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-quinoxalin-6-ylmethanone

C21H17N5O2 — CID 164696373

IUPAC[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-quinoxalin-6-ylmethanone
SMILESO=C(c1ccc2nccnc2c1)N1Cc2[nH]cnc2C(c2cccc(O)c2)C1
InChIInChI=1S/C21H17N5O2/c27-15-3-1-2-13(8-15)16-10-26(11-19-20(16)25-12-24-19)21(28)14-4-5-17-18(9-14)23-7-6-22-17/h1-9,12,16,27H,10-11H2,(H,24,25)
InChIKeyWKPRGQYTYCWYLS-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.85
Rot. Bonds2

About [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-quinoxalin-6-ylmethanone

[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-quinoxalin-6-ylmethanone (PubChem CID 164696373) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-quinoxalin-6-ylmethanone
PubChem CID164696373
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-quinoxalin-6-ylmethanone
SMILESO=C(c1ccc2nccnc2c1)N1Cc2[nH]cnc2C(c2cccc(O)c2)C1
InChIInChI=1S/C21H17N5O2/c27-15-3-1-2-13(8-15)16-10-26(11-19-20(16)25-12-24-19)21(28)14-4-5-17-18(9-14)23-7-6-22-17/h1-9,12,16,27H,10-11H2,(H,24,25)
InChIKeyWKPRGQYTYCWYLS-UHFFFAOYSA-N
XLogP2.85
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-quinoxalin-6-ylmethanone (CID 164696373) is [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-quinoxalin-6-ylmethanone is O=C(c1ccc2nccnc2c1)N1Cc2[nH]cnc2C(c2cccc(O)c2)C1.
What is the InChIKey of [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-quinoxalin-6-ylmethanone?
The InChIKey is WKPRGQYTYCWYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c27-15-3-1-2-13(8-15)16-10-26(11-19-20(16)25-12-24-19)21(28)14-4-5-17-18(9-14)23-7-6-22-17/h1-9,12,16,27H,10-11H2,(H,24,25).
What are the key properties of [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-quinoxalin-6-ylmethanone?
[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-quinoxalin-6-ylmethanone has a molecular weight of 371.40 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 164696373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).