1-methyl-3-(2-phenoxyphenyl)-6H-pyrrolo[2,3-c]pyridin-7-one

C20H16N2O2 — CID 86287687

IUPAC1-methyl-3-(2-phenoxyphenyl)-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2ccccc2Oc2ccccc2)c2cc[nH]c(=O)c21
InChIInChI=1S/C20H16N2O2/c1-22-13-17(16-11-12-21-20(23)19(16)22)15-9-5-6-10-18(15)24-14-7-3-2-4-8-14/h2-13H,1H3,(H,21,23)
InChIKeyLXTIJBUYZHCORC-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.33
Rot. Bonds3

About 1-methyl-3-(2-phenoxyphenyl)-6H-pyrrolo[2,3-c]pyridin-7-one

1-methyl-3-(2-phenoxyphenyl)-6H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 86287687) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-methyl-3-(2-phenoxyphenyl)-6H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name1-methyl-3-(2-phenoxyphenyl)-6H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID86287687
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name1-methyl-3-(2-phenoxyphenyl)-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2ccccc2Oc2ccccc2)c2cc[nH]c(=O)c21
InChIInChI=1S/C20H16N2O2/c1-22-13-17(16-11-12-21-20(23)19(16)22)15-9-5-6-10-18(15)24-14-7-3-2-4-8-14/h2-13H,1H3,(H,21,23)
InChIKeyLXTIJBUYZHCORC-UHFFFAOYSA-N
XLogP4.33
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-phenoxyphenyl)-6H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 1-methyl-3-(2-phenoxyphenyl)-6H-pyrrolo[2,3-c]pyridin-7-one (CID 86287687) is 1-methyl-3-(2-phenoxyphenyl)-6H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 1-methyl-3-(2-phenoxyphenyl)-6H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 1-methyl-3-(2-phenoxyphenyl)-6H-pyrrolo[2,3-c]pyridin-7-one is Cn1cc(-c2ccccc2Oc2ccccc2)c2cc[nH]c(=O)c21.
What is the InChIKey of 1-methyl-3-(2-phenoxyphenyl)-6H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is LXTIJBUYZHCORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-22-13-17(16-11-12-21-20(23)19(16)22)15-9-5-6-10-18(15)24-14-7-3-2-4-8-14/h2-13H,1H3,(H,21,23).
What are the key properties of 1-methyl-3-(2-phenoxyphenyl)-6H-pyrrolo[2,3-c]pyridin-7-one?
1-methyl-3-(2-phenoxyphenyl)-6H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 316.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-phenoxyphenyl)-6H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 86287687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).