2-(3-ethoxyquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C17H16N4O2 — CID 71730369

IUPAC2-(3-ethoxyquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCCOc1cnc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1
InChIInChI=1S/C17H16N4O2/c1-2-23-15-9-19-13-5-3-4-10(16(13)21-15)14-8-11-12(20-14)6-7-18-17(11)22/h3-5,8-9,20H,2,6-7H2,1H3,(H,18,22)
InChIKeyKKBGGKFCFCEFRX-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.31
Rot. Bonds3

About 2-(3-ethoxyquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-(3-ethoxyquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 71730369) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(3-ethoxyquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(3-ethoxyquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID71730369
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-(3-ethoxyquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCCOc1cnc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1
InChIInChI=1S/C17H16N4O2/c1-2-23-15-9-19-13-5-3-4-10(16(13)21-15)14-8-11-12(20-14)6-7-18-17(11)22/h3-5,8-9,20H,2,6-7H2,1H3,(H,18,22)
InChIKeyKKBGGKFCFCEFRX-UHFFFAOYSA-N
XLogP2.31
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(3-ethoxyquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 71730369) is 2-(3-ethoxyquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(3-ethoxyquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(3-ethoxyquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CCOc1cnc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1.
What is the InChIKey of 2-(3-ethoxyquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is KKBGGKFCFCEFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-2-23-15-9-19-13-5-3-4-10(16(13)21-15)14-8-11-12(20-14)6-7-18-17(11)22/h3-5,8-9,20H,2,6-7H2,1H3,(H,18,22).
What are the key properties of 2-(3-ethoxyquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(3-ethoxyquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 308.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 71730369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).