2-(2-phenoxyquinolin-8-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-phenoxyquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C44H32N6O4 — CID 158352434

IUPAC2-(2-phenoxyquinolin-8-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-phenoxyquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3cccc4ccc(Oc5ccccc5)nc34)cc21.O=c1[nH]ccc2[nH]c(-c3cccc4ccc(Oc5ccccc5)nc34)cc12
InChIInChI=1S/C22H17N3O2.C22H15N3O2/c2*26-22-17-13-19(24-18(17)11-12-23-22)16-8-4-5-14-9-10-20(25-21(14)16)27-15-6-2-1-3-7-15/h1-10,13,24H,11-12H2,(H,23,26);1-13,24H,(H,23,26)
InChIKeyGSMDPLBXWVHVNF-UHFFFAOYSA-N
MW708.78 g/mol
LogP9.17
Rot. Bonds6

About 2-(2-phenoxyquinolin-8-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-phenoxyquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-(2-phenoxyquinolin-8-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-phenoxyquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 158352434) has the molecular formula C44H32N6O4 and a molecular weight of 708.78 g/mol. Its IUPAC name is 2-(2-phenoxyquinolin-8-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-phenoxyquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-phenoxyquinolin-8-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-phenoxyquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID158352434
Molecular FormulaC44H32N6O4
Molecular Weight708.78 g/mol
Exact Mass708.25
IUPAC Name2-(2-phenoxyquinolin-8-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-phenoxyquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3cccc4ccc(Oc5ccccc5)nc34)cc21.O=c1[nH]ccc2[nH]c(-c3cccc4ccc(Oc5ccccc5)nc34)cc12
InChIInChI=1S/C22H17N3O2.C22H15N3O2/c2*26-22-17-13-19(24-18(17)11-12-23-22)16-8-4-5-14-9-10-20(25-21(14)16)27-15-6-2-1-3-7-15/h1-10,13,24H,11-12H2,(H,23,26);1-13,24H,(H,23,26)
InChIKeyGSMDPLBXWVHVNF-UHFFFAOYSA-N
XLogP9.17
TPSA137.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.78
LogP ≤ 59.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-(2-phenoxyquinolin-8-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-phenoxyquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyquinolin-8-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-phenoxyquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-phenoxyquinolin-8-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-phenoxyquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 158352434) is 2-(2-phenoxyquinolin-8-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-phenoxyquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-phenoxyquinolin-8-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-phenoxyquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-phenoxyquinolin-8-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-phenoxyquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2[nH]c(-c3cccc4ccc(Oc5ccccc5)nc34)cc21.O=c1[nH]ccc2[nH]c(-c3cccc4ccc(Oc5ccccc5)nc34)cc12.
What is the InChIKey of 2-(2-phenoxyquinolin-8-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-phenoxyquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is GSMDPLBXWVHVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2.C22H15N3O2/c2*26-22-17-13-19(24-18(17)11-12-23-22)16-8-4-5-14-9-10-20(25-21(14)16)27-15-6-2-1-3-7-15/h1-10,13,24H,11-12H2,(H,23,26);1-13,24H,(H,23,26).
What are the key properties of 2-(2-phenoxyquinolin-8-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-phenoxyquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(2-phenoxyquinolin-8-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-phenoxyquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 708.78 g/mol, XLogP of 9.17, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyquinolin-8-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-phenoxyquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 158352434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).