3-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one

C17H13NO — CID 44574387

IUPAC3-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one
SMILESCc1ccc2cc3n(c(=O)c2c1)Cc1ccccc1-3
InChIInChI=1S/C17H13NO/c1-11-6-7-12-9-16-14-5-3-2-4-13(14)10-18(16)17(19)15(12)8-11/h2-9H,10H2,1H3
InChIKeyPUVCQPJRXOIWBH-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.34
Rot. Bonds

About 3-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one

3-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one (PubChem CID 44574387) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one.

Molecular Properties

Compound Name3-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one
PubChem CID44574387
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name3-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one
SMILESCc1ccc2cc3n(c(=O)c2c1)Cc1ccccc1-3
InChIInChI=1S/C17H13NO/c1-11-6-7-12-9-16-14-5-3-2-4-13(14)10-18(16)17(19)15(12)8-11/h2-9H,10H2,1H3
InChIKeyPUVCQPJRXOIWBH-UHFFFAOYSA-N
XLogP3.34
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one?
The IUPAC name of 3-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one (CID 44574387) is 3-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one.
What is the SMILES notation for 3-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one?
The canonical SMILES for 3-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one is Cc1ccc2cc3n(c(=O)c2c1)Cc1ccccc1-3.
What is the InChIKey of 3-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one?
The InChIKey is PUVCQPJRXOIWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c1-11-6-7-12-9-16-14-5-3-2-4-13(14)10-18(16)17(19)15(12)8-11/h2-9H,10H2,1H3.
What are the key properties of 3-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one?
3-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one has a molecular weight of 247.30 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one is sourced from PubChem (CID 44574387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).