(10,11-dimethylisoindolo[1,2-a]isoquinolin-8-yl)-phenylmethanone

C25H19NO — CID 25224378

IUPAC(10,11-dimethylisoindolo[1,2-a]isoquinolin-8-yl)-phenylmethanone
SMILESCc1cc2c(C(=O)c3ccccc3)n3ccc4ccccc4c3c2cc1C
InChIInChI=1S/C25H19NO/c1-16-14-21-22(15-17(16)2)24(25(27)19-9-4-3-5-10-19)26-13-12-18-8-6-7-11-20(18)23(21)26/h3-15H,1-2H3
InChIKeyYSCUAZGZFHXAKL-UHFFFAOYSA-N
MW349.43 g/mol
LogP6.09
Rot. Bonds2

About (10,11-dimethylisoindolo[1,2-a]isoquinolin-8-yl)-phenylmethanone

(10,11-dimethylisoindolo[1,2-a]isoquinolin-8-yl)-phenylmethanone (PubChem CID 25224378) has the molecular formula C25H19NO and a molecular weight of 349.43 g/mol. Its IUPAC name is (10,11-dimethylisoindolo[1,2-a]isoquinolin-8-yl)-phenylmethanone.

Molecular Properties

Compound Name(10,11-dimethylisoindolo[1,2-a]isoquinolin-8-yl)-phenylmethanone
PubChem CID25224378
Molecular FormulaC25H19NO
Molecular Weight349.43 g/mol
Exact Mass349.15
IUPAC Name(10,11-dimethylisoindolo[1,2-a]isoquinolin-8-yl)-phenylmethanone
SMILESCc1cc2c(C(=O)c3ccccc3)n3ccc4ccccc4c3c2cc1C
InChIInChI=1S/C25H19NO/c1-16-14-21-22(15-17(16)2)24(25(27)19-9-4-3-5-10-19)26-13-12-18-8-6-7-11-20(18)23(21)26/h3-15H,1-2H3
InChIKeyYSCUAZGZFHXAKL-UHFFFAOYSA-N
XLogP6.09
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Jwh 122
CID 44466638
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
AM 2201
CID 53393997
(1-hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
CID 44418307
AM-1220, (+-)-
CID 9929889
(1-(2-Morpholin-4-ylethyl)indol-3-yl)-4-methylnaphthalen-1-ylmethanone
CID 10250276
(4-Fluoronaphthalen-1-yl)(1-pentyl-1h-indol-3-yl)methanone
CID 71454236
2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 11616723
Calothrixin B
CID 9817721
(1-hexyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 52224389

Frequently Asked Questions

What is the IUPAC name of (10,11-dimethylisoindolo[1,2-a]isoquinolin-8-yl)-phenylmethanone?
The IUPAC name of (10,11-dimethylisoindolo[1,2-a]isoquinolin-8-yl)-phenylmethanone (CID 25224378) is (10,11-dimethylisoindolo[1,2-a]isoquinolin-8-yl)-phenylmethanone.
What is the SMILES notation for (10,11-dimethylisoindolo[1,2-a]isoquinolin-8-yl)-phenylmethanone?
The canonical SMILES for (10,11-dimethylisoindolo[1,2-a]isoquinolin-8-yl)-phenylmethanone is Cc1cc2c(C(=O)c3ccccc3)n3ccc4ccccc4c3c2cc1C.
What is the InChIKey of (10,11-dimethylisoindolo[1,2-a]isoquinolin-8-yl)-phenylmethanone?
The InChIKey is YSCUAZGZFHXAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO/c1-16-14-21-22(15-17(16)2)24(25(27)19-9-4-3-5-10-19)26-13-12-18-8-6-7-11-20(18)23(21)26/h3-15H,1-2H3.
What are the key properties of (10,11-dimethylisoindolo[1,2-a]isoquinolin-8-yl)-phenylmethanone?
(10,11-dimethylisoindolo[1,2-a]isoquinolin-8-yl)-phenylmethanone has a molecular weight of 349.43 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10,11-dimethylisoindolo[1,2-a]isoquinolin-8-yl)-phenylmethanone is sourced from PubChem (CID 25224378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).