2-[3-(1,8-naphthyridin-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C21H16N4O — CID 91074895

IUPAC2-[3-(1,8-naphthyridin-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3cccc(-c4ccc5cccnc5n4)c3)cc21
InChIInChI=1S/C21H16N4O/c26-21-16-12-19(24-18(16)8-10-23-21)15-4-1-3-14(11-15)17-7-6-13-5-2-9-22-20(13)25-17/h1-7,9,11-12,24H,8,10H2,(H,23,26)
InChIKeyOQUCATRIJNYWLD-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.58
Rot. Bonds2

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

2-[3-(1,8-naphthyridin-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 91074895) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-[3-(1,8-naphthyridin-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[3-(1,8-naphthyridin-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID91074895
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name2-[3-(1,8-naphthyridin-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3cccc(-c4ccc5cccnc5n4)c3)cc21
InChIInChI=1S/C21H16N4O/c26-21-16-12-19(24-18(16)8-10-23-21)15-4-1-3-14(11-15)17-7-6-13-5-2-9-22-20(13)25-17/h1-7,9,11-12,24H,8,10H2,(H,23,26)
InChIKeyOQUCATRIJNYWLD-UHFFFAOYSA-N
XLogP3.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,8-naphthyridin-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[3-(1,8-naphthyridin-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 91074895) is 2-[3-(1,8-naphthyridin-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[3-(1,8-naphthyridin-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[3-(1,8-naphthyridin-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2[nH]c(-c3cccc(-c4ccc5cccnc5n4)c3)cc21.
What is the InChIKey of 2-[3-(1,8-naphthyridin-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is OQUCATRIJNYWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c26-21-16-12-19(24-18(16)8-10-23-21)15-4-1-3-14(11-15)17-7-6-13-5-2-9-22-20(13)25-17/h1-7,9,11-12,24H,8,10H2,(H,23,26).
What are the key properties of 2-[3-(1,8-naphthyridin-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[3-(1,8-naphthyridin-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 340.39 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,8-naphthyridin-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 91074895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).