6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione

C20H15NO2 — CID 2826374

IUPAC6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione
SMILESO=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CC1CC1
InChIInChI=1S/C20H15NO2/c22-19-15-7-3-2-6-14(15)18-17(19)13-5-1-4-8-16(13)20(23)21(18)11-12-9-10-12/h1-8,12H,9-11H2
InChIKeyMQXRQVZOXHSPOI-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.62
Rot. Bonds2

About 6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione

6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 2826374) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID2826374
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione
SMILESO=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CC1CC1
InChIInChI=1S/C20H15NO2/c22-19-15-7-3-2-6-14(15)18-17(19)13-5-1-4-8-16(13)20(23)21(18)11-12-9-10-12/h1-8,12H,9-11H2
InChIKeyMQXRQVZOXHSPOI-UHFFFAOYSA-N
XLogP3.62
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Related Compounds

Oracine
CID 160047
4-(5,11-Dioxo-5H-indeno(1,2-C)isoquinolin-6(11H)-YL)butanoate
CID 5288720
6-(2-Hydroxyethyl)-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione
CID 334474
6-(3-Aminopropyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 11220435
5,6-dioxo-11H-inden o[1,2-c]isoquinoline
CID 11256032
6-[3-(2-Hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 15295845
6-(5-aminopentyl)-5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinoline hydrochloride
CID 16221201
6-(7-amonoheptyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride
CID 16221203
6-(6-Aminohexyl)-5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinoline Hydrochloride
CID 16221320
6-(3-Amino-2-hydroxypropyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 53388506
6-[3-(Dimethylamino)propyl]-5,11-dioxoindeno[1,2-c]isoquinoline-3-carbonitrile
CID 71544866
isoindolo[2,1-b]isoquinolin-5(7H)-one
CID 12787227

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione (CID 2826374) is 6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione is O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CC1CC1.
What is the InChIKey of 6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is MQXRQVZOXHSPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c22-19-15-7-3-2-6-14(15)18-17(19)13-5-1-4-8-16(13)20(23)21(18)11-12-9-10-12/h1-8,12H,9-11H2.
What are the key properties of 6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione?
6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 301.35 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 2826374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).