4-(2-methoxyphenyl)-2-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one

C21H18N2O2 — CID 163405529

IUPAC4-(2-methoxyphenyl)-2-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccccc1-c1nccc2c1CN(c1ccc(C)cc1)C2=O
InChIInChI=1S/C21H18N2O2/c1-14-7-9-15(10-8-14)23-13-18-16(21(23)24)11-12-22-20(18)17-5-3-4-6-19(17)25-2/h3-12H,13H2,1-2H3
InChIKeyAMAJYTLCBGFYBV-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.23
Rot. Bonds3

About 4-(2-methoxyphenyl)-2-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one

4-(2-methoxyphenyl)-2-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 163405529) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID163405529
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name4-(2-methoxyphenyl)-2-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccccc1-c1nccc2c1CN(c1ccc(C)cc1)C2=O
InChIInChI=1S/C21H18N2O2/c1-14-7-9-15(10-8-14)23-13-18-16(21(23)24)11-12-22-20(18)17-5-3-4-6-19(17)25-2/h3-12H,13H2,1-2H3
InChIKeyAMAJYTLCBGFYBV-UHFFFAOYSA-N
XLogP4.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(2-methoxyphenyl)-2-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 163405529) is 4-(2-methoxyphenyl)-2-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(2-methoxyphenyl)-2-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(2-methoxyphenyl)-2-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one is COc1ccccc1-c1nccc2c1CN(c1ccc(C)cc1)C2=O.
What is the InChIKey of 4-(2-methoxyphenyl)-2-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is AMAJYTLCBGFYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-14-7-9-15(10-8-14)23-13-18-16(21(23)24)11-12-22-20(18)17-5-3-4-6-19(17)25-2/h3-12H,13H2,1-2H3.
What are the key properties of 4-(2-methoxyphenyl)-2-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(2-methoxyphenyl)-2-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 330.39 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 163405529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).