6-[(5R)-5,9-diamino-4-oxononyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride

C25H29Cl2N3O3 — CID 90664576

IUPAC6-[(5R)-5,9-diamino-4-oxononyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride
SMILESCl.Cl.NCCCC[C@@H](N)C(=O)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C25H27N3O3.2ClH/c26-14-6-5-12-20(27)21(29)13-7-15-28-23-17-9-2-3-10-18(17)24(30)22(23)16-8-1-4-11-19(16)25(28)31;;/h1-4,8-11,20H,5-7,12-15,26-27H2;2*1H/t20-;;/m1../s1
InChIKeySLAHHRDIRFNUNX-FAVHNTAZSA-N
MW490.43 g/mol
LogP3.86
Rot. Bonds9

About 6-[(5R)-5,9-diamino-4-oxononyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride

6-[(5R)-5,9-diamino-4-oxononyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride (PubChem CID 90664576) has the molecular formula C25H29Cl2N3O3 and a molecular weight of 490.43 g/mol. Its IUPAC name is 6-[(5R)-5,9-diamino-4-oxononyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride.

Molecular Properties

Compound Name6-[(5R)-5,9-diamino-4-oxononyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride
PubChem CID90664576
Molecular FormulaC25H29Cl2N3O3
Molecular Weight490.43 g/mol
Exact Mass489.16
IUPAC Name6-[(5R)-5,9-diamino-4-oxononyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride
SMILESCl.Cl.NCCCC[C@@H](N)C(=O)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C25H27N3O3.2ClH/c26-14-6-5-12-20(27)21(29)13-7-15-28-23-17-9-2-3-10-18(17)24(30)22(23)16-8-1-4-11-19(16)25(28)31;;/h1-4,8-11,20H,5-7,12-15,26-27H2;2*1H/t20-;;/m1../s1
InChIKeySLAHHRDIRFNUNX-FAVHNTAZSA-N
XLogP3.86
TPSA108.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(5R)-5,9-diamino-4-oxononyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride?
The IUPAC name of 6-[(5R)-5,9-diamino-4-oxononyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride (CID 90664576) is 6-[(5R)-5,9-diamino-4-oxononyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride.
What is the SMILES notation for 6-[(5R)-5,9-diamino-4-oxononyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride?
The canonical SMILES for 6-[(5R)-5,9-diamino-4-oxononyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride is Cl.Cl.NCCCC[C@@H](N)C(=O)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2.
What is the InChIKey of 6-[(5R)-5,9-diamino-4-oxononyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride?
The InChIKey is SLAHHRDIRFNUNX-FAVHNTAZSA-N. The full InChI is InChI=1S/C25H27N3O3.2ClH/c26-14-6-5-12-20(27)21(29)13-7-15-28-23-17-9-2-3-10-18(17)24(30)22(23)16-8-1-4-11-19(16)25(28)31;;/h1-4,8-11,20H,5-7,12-15,26-27H2;2*1H/t20-;;/m1../s1.
What are the key properties of 6-[(5R)-5,9-diamino-4-oxononyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride?
6-[(5R)-5,9-diamino-4-oxononyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride has a molecular weight of 490.43 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5R)-5,9-diamino-4-oxononyl]indeno[1,2-c]isoquinoline-5,11-dione;dihydrochloride is sourced from PubChem (CID 90664576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).