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

C17H13NO — CID 44574386

IUPAC2-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one
SMILESCc1ccc2c(=O)n3c(cc2c1)-c1ccccc1C3
InChIInChI=1S/C17H13NO/c1-11-6-7-15-13(8-11)9-16-14-5-3-2-4-12(14)10-18(16)17(15)19/h2-9H,10H2,1H3
InChIKeyUHTLJWXIRXBQGT-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.34
Rot. Bonds

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

2-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one (PubChem CID 44574386) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one.

Molecular Properties

Compound Name2-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one
PubChem CID44574386
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name2-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one
SMILESCc1ccc2c(=O)n3c(cc2c1)-c1ccccc1C3
InChIInChI=1S/C17H13NO/c1-11-6-7-15-13(8-11)9-16-14-5-3-2-4-12(14)10-18(16)17(15)19/h2-9H,10H2,1H3
InChIKeyUHTLJWXIRXBQGT-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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Related Compounds

N-Cyclohexylphthalimide
CID 225739
2-Naphthalenyl-1-piperidinylmethanone
CID 593461
Naphthalen-2-yl(pyrrolidin-1-yl)methanone
CID 795353
2-Benzylisoindolin-1-one
CID 1485883
N-(3-Phenylallyl)phthalimide
CID 5389074
3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide
CID 9928326
3-(Aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinoline-6-carboxamide;hydrochloride
CID 22175262
5,6-dihydro-5-oxo-11H-indeno [1,2-c]isoquinoline
CID 10105388
2-Methyl-2,3-dihydro-1H-isoindol-1-one
CID 220657
N,N-dimethyl-4-[1-oxo-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-6-yl]benzamide
CID 25218397
2-[4-(dimethylamino)phenyl]-6-methyl-3H-isoindol-1-one
CID 25266665
N-cyclohexyl-N-methyl-4-phenylbenzamide
CID 1226772

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one?
The IUPAC name of 2-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one (CID 44574386) is 2-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one.
What is the SMILES notation for 2-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one?
The canonical SMILES for 2-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one is Cc1ccc2c(=O)n3c(cc2c1)-c1ccccc1C3.
What is the InChIKey of 2-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one?
The InChIKey is UHTLJWXIRXBQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c1-11-6-7-15-13(8-11)9-16-14-5-3-2-4-12(14)10-18(16)17(15)19/h2-9H,10H2,1H3.
What are the key properties of 2-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one?
2-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 2-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one is sourced from PubChem (CID 44574386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).