6-(4-aminobutyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride

C20H19ClN2O2 — CID 10338254

IUPAC6-(4-aminobutyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride
SMILESCl.NCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C20H18N2O2.ClH/c21-11-5-6-12-22-18-14-8-2-3-9-15(14)19(23)17(18)13-7-1-4-10-16(13)20(22)24;/h1-4,7-10H,5-6,11-12,21H2;1H
InChIKeyDPVMCOIVRZSKKX-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.37
Rot. Bonds4

About 6-(4-aminobutyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride

6-(4-aminobutyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride (PubChem CID 10338254) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 6-(4-aminobutyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride.

Molecular Properties

Compound Name6-(4-aminobutyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride
PubChem CID10338254
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name6-(4-aminobutyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride
SMILESCl.NCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C20H18N2O2.ClH/c21-11-5-6-12-22-18-14-8-2-3-9-15(14)19(23)17(18)13-7-1-4-10-16(13)20(22)24;/h1-4,7-10H,5-6,11-12,21H2;1H
InChIKeyDPVMCOIVRZSKKX-UHFFFAOYSA-N
XLogP3.37
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminobutyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride?
The IUPAC name of 6-(4-aminobutyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride (CID 10338254) is 6-(4-aminobutyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride.
What is the SMILES notation for 6-(4-aminobutyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride?
The canonical SMILES for 6-(4-aminobutyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride is Cl.NCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2.
What is the InChIKey of 6-(4-aminobutyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride?
The InChIKey is DPVMCOIVRZSKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2.ClH/c21-11-5-6-12-22-18-14-8-2-3-9-15(14)19(23)17(18)13-7-1-4-10-16(13)20(22)24;/h1-4,7-10H,5-6,11-12,21H2;1H.
What are the key properties of 6-(4-aminobutyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride?
6-(4-aminobutyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride has a molecular weight of 354.84 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminobutyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride is sourced from PubChem (CID 10338254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).