6-(2-aminoethyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride

C18H15ClN2O2 — CID 11370830

IUPAC6-(2-aminoethyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride
SMILESCl.NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C18H14N2O2.ClH/c19-9-10-20-16-12-6-2-3-7-13(12)17(21)15(16)11-5-1-4-8-14(11)18(20)22;/h1-8H,9-10,19H2;1H
InChIKeySVMKVYMGTWVYQV-UHFFFAOYSA-N
MW326.78 g/mol
LogP2.59
Rot. Bonds2

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

6-(2-aminoethyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride (PubChem CID 11370830) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 6-(2-aminoethyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride.

Molecular Properties

Compound Name6-(2-aminoethyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride
PubChem CID11370830
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name6-(2-aminoethyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride
SMILESCl.NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C18H14N2O2.ClH/c19-9-10-20-16-12-6-2-3-7-13(12)17(21)15(16)11-5-1-4-8-14(11)18(20)22;/h1-8H,9-10,19H2;1H
InChIKeySVMKVYMGTWVYQV-UHFFFAOYSA-N
XLogP2.59
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride?
The IUPAC name of 6-(2-aminoethyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride (CID 11370830) is 6-(2-aminoethyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride.
What is the SMILES notation for 6-(2-aminoethyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride?
The canonical SMILES for 6-(2-aminoethyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride is Cl.NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2.
What is the InChIKey of 6-(2-aminoethyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride?
The InChIKey is SVMKVYMGTWVYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2.ClH/c19-9-10-20-16-12-6-2-3-7-13(12)17(21)15(16)11-5-1-4-8-14(11)18(20)22;/h1-8H,9-10,19H2;1H.
What are the key properties of 6-(2-aminoethyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride?
6-(2-aminoethyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride has a molecular weight of 326.78 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride is sourced from PubChem (CID 11370830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).