2-(3-methoxyphenyl)pyrido[1,2-b]isoindole-4,6-dione

C19H13NO3 — CID 11381128

IUPAC2-(3-methoxyphenyl)pyrido[1,2-b]isoindole-4,6-dione
SMILESCOc1cccc(-c2cc3n(c(=O)c2)C(=O)c2ccccc2-3)c1
InChIInChI=1S/C19H13NO3/c1-23-14-6-4-5-12(9-14)13-10-17-15-7-2-3-8-16(15)19(22)20(17)18(21)11-13/h2-11H,1H3
InChIKeyWGVUOZKLLVXKME-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.19
Rot. Bonds2

About 2-(3-methoxyphenyl)pyrido[1,2-b]isoindole-4,6-dione

2-(3-methoxyphenyl)pyrido[1,2-b]isoindole-4,6-dione (PubChem CID 11381128) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)pyrido[1,2-b]isoindole-4,6-dione.

Molecular Properties

Compound Name2-(3-methoxyphenyl)pyrido[1,2-b]isoindole-4,6-dione
PubChem CID11381128
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name2-(3-methoxyphenyl)pyrido[1,2-b]isoindole-4,6-dione
SMILESCOc1cccc(-c2cc3n(c(=O)c2)C(=O)c2ccccc2-3)c1
InChIInChI=1S/C19H13NO3/c1-23-14-6-4-5-12(9-14)13-10-17-15-7-2-3-8-16(15)19(22)20(17)18(21)11-13/h2-11H,1H3
InChIKeyWGVUOZKLLVXKME-UHFFFAOYSA-N
XLogP3.19
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)pyrido[1,2-b]isoindole-4,6-dione?
The IUPAC name of 2-(3-methoxyphenyl)pyrido[1,2-b]isoindole-4,6-dione (CID 11381128) is 2-(3-methoxyphenyl)pyrido[1,2-b]isoindole-4,6-dione.
What is the SMILES notation for 2-(3-methoxyphenyl)pyrido[1,2-b]isoindole-4,6-dione?
The canonical SMILES for 2-(3-methoxyphenyl)pyrido[1,2-b]isoindole-4,6-dione is COc1cccc(-c2cc3n(c(=O)c2)C(=O)c2ccccc2-3)c1.
What is the InChIKey of 2-(3-methoxyphenyl)pyrido[1,2-b]isoindole-4,6-dione?
The InChIKey is WGVUOZKLLVXKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c1-23-14-6-4-5-12(9-14)13-10-17-15-7-2-3-8-16(15)19(22)20(17)18(21)11-13/h2-11H,1H3.
What are the key properties of 2-(3-methoxyphenyl)pyrido[1,2-b]isoindole-4,6-dione?
2-(3-methoxyphenyl)pyrido[1,2-b]isoindole-4,6-dione has a molecular weight of 303.32 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)pyrido[1,2-b]isoindole-4,6-dione is sourced from PubChem (CID 11381128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).