6-(3-aminopropyl)indeno[1,2-c]isoquinoline-5,11-dione

C19H16N2O2 — CID 11220435

IUPAC6-(3-aminopropyl)indeno[1,2-c]isoquinoline-5,11-dione
SMILESNCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C19H16N2O2/c20-10-5-11-21-17-13-7-2-3-8-14(13)18(22)16(17)12-6-1-4-9-15(12)19(21)23/h1-4,6-9H,5,10-11,20H2
InChIKeyJWMIPWLLAVVHDH-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.56
Rot. Bonds3

About 6-(3-aminopropyl)indeno[1,2-c]isoquinoline-5,11-dione

6-(3-aminopropyl)indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 11220435) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-(3-aminopropyl)indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-(3-aminopropyl)indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID11220435
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name6-(3-aminopropyl)indeno[1,2-c]isoquinoline-5,11-dione
SMILESNCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C19H16N2O2/c20-10-5-11-21-17-13-7-2-3-8-14(13)18(22)16(17)12-6-1-4-9-15(12)19(21)23/h1-4,6-9H,5,10-11,20H2
InChIKeyJWMIPWLLAVVHDH-UHFFFAOYSA-N
XLogP2.56
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Oracine
CID 160047
4-hydroxy-3,3-dimethyl-2H-benzo[g]indole-2,5(3H)-dione
CID 6604934
L 693593
CID 65001
4-(Benzylamino)naphthalene-1,2-dione
CID 3095209
4-(5,11-Dioxo-5H-indeno(1,2-C)isoquinolin-6(11H)-YL)butanoate
CID 5288720
2-isopropyl-3-oxo-N-(2-phenylethyl)isoindoline-1-carboxamide
CID 4116921
7-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-heptanoic acid cyclohexylamide
CID 3148604
N-(2-cyclohex-1-en-1-ylethyl)-2-cyclohexyl-3-oxoisoindoline-4-carboxamide
CID 16194355
6-(2-Hydroxyethyl)-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione
CID 334474
4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione
CID 3237127
2-(4-Piperidin-1-yl-butyryl)-1,3,4,5-tetrahydro-2H-benzo[c][1,6]naphthyridin-6-one
CID 10155051
5,6-dioxo-11H-inden o[1,2-c]isoquinoline
CID 11256032

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-(3-aminopropyl)indeno[1,2-c]isoquinoline-5,11-dione (CID 11220435) is 6-(3-aminopropyl)indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-(3-aminopropyl)indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-(3-aminopropyl)indeno[1,2-c]isoquinoline-5,11-dione is NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2.
What is the InChIKey of 6-(3-aminopropyl)indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is JWMIPWLLAVVHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c20-10-5-11-21-17-13-7-2-3-8-14(13)18(22)16(17)12-6-1-4-9-15(12)19(21)23/h1-4,6-9H,5,10-11,20H2.
What are the key properties of 6-(3-aminopropyl)indeno[1,2-c]isoquinoline-5,11-dione?
6-(3-aminopropyl)indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 304.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 11220435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).