3-methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one

C20H16N2O2 — CID 86270617

IUPAC3-methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one
SMILESCc1[nH]c(-c2ccccc2Oc2ccccc2)c2cc[nH]c(=O)c12
InChIInChI=1S/C20H16N2O2/c1-13-18-16(11-12-21-20(18)23)19(22-13)15-9-5-6-10-17(15)24-14-7-3-2-4-8-14/h2-12,22H,1H3,(H,21,23)
InChIKeyZVBYYZLLHHAMEC-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.62
Rot. Bonds3

About 3-methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one

3-methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one (PubChem CID 86270617) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one.

Molecular Properties

Compound Name3-methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one
PubChem CID86270617
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name3-methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one
SMILESCc1[nH]c(-c2ccccc2Oc2ccccc2)c2cc[nH]c(=O)c12
InChIInChI=1S/C20H16N2O2/c1-13-18-16(11-12-21-20(18)23)19(22-13)15-9-5-6-10-17(15)24-14-7-3-2-4-8-14/h2-12,22H,1H3,(H,21,23)
InChIKeyZVBYYZLLHHAMEC-UHFFFAOYSA-N
XLogP4.62
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-4-(2-Phenoxyphenyl)-1,6-Dihydro-7h-Pyrrolo[2,3-C]pyridin-7-One
CID 71616297
N-[3-(3-Methyl-4-Oxo-4,5,6,7-Tetrahydro-2h-Isoindol-1-Yl)-4-Phenoxyphenyl]methanesulfonamide
CID 71760902
5-[2-(4-Chlorophenoxy)phenyl]-2-Methyl-1h-Pyrrole-3-Carboxamide
CID 90413480
4-acetyl-N-(2-methoxybenzyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 867006
2-(3-Methoxy-phenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 24809725
(1-phenyl-2-(o-tolyloxy)-1H-indol-3-yl)(piperazin-1-yl)methanone
CID 44160197
N-{[cis-4-(2-Phenoxyethyl)cyclohexyl]methyl}-1H-pyrrole-3-carboxamide
CID 44442116
2-(2-Methoxy-phenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 49788792
2-[2-methyl-4-oxo-3-[(2-phenoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]acetic acid
CID 71471469
US9776990, Example 2
CID 71811973
1-(5-amino-2-phenoxyphenyl)-3-methyl-2,5,6,7-tetrahydro-4H-isoindol-4-one
CID 71812048
US9776990, Example 55
CID 71812067

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one?
The IUPAC name of 3-methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one (CID 86270617) is 3-methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one.
What is the SMILES notation for 3-methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one?
The canonical SMILES for 3-methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one is Cc1[nH]c(-c2ccccc2Oc2ccccc2)c2cc[nH]c(=O)c12.
What is the InChIKey of 3-methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one?
The InChIKey is ZVBYYZLLHHAMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-13-18-16(11-12-21-20(18)23)19(22-13)15-9-5-6-10-17(15)24-14-7-3-2-4-8-14/h2-12,22H,1H3,(H,21,23).
What are the key properties of 3-methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one?
3-methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one has a molecular weight of 316.36 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one is sourced from PubChem (CID 86270617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).