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

C20H17NO3 — CID 71601374

IUPAC6-(3-methoxypropyl)indeno[1,2-c]isoquinoline-5,11-dione
SMILESCOCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C20H17NO3/c1-24-12-6-11-21-18-14-8-3-4-9-15(14)19(22)17(18)13-7-2-5-10-16(13)20(21)23/h2-5,7-10H,6,11-12H2,1H3
InChIKeyBKWQKKMXDYBDDC-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.25
Rot. Bonds4

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

6-(3-methoxypropyl)indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 71601374) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 6-(3-methoxypropyl)indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-(3-methoxypropyl)indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID71601374
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name6-(3-methoxypropyl)indeno[1,2-c]isoquinoline-5,11-dione
SMILESCOCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C20H17NO3/c1-24-12-6-11-21-18-14-8-3-4-9-15(14)19(22)17(18)13-7-2-5-10-16(13)20(21)23/h2-5,7-10H,6,11-12H2,1H3
InChIKeyBKWQKKMXDYBDDC-UHFFFAOYSA-N
XLogP3.25
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
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-(3-methoxypropyl)indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-(3-methoxypropyl)indeno[1,2-c]isoquinoline-5,11-dione (CID 71601374) is 6-(3-methoxypropyl)indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-(3-methoxypropyl)indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-(3-methoxypropyl)indeno[1,2-c]isoquinoline-5,11-dione is COCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2.
What is the InChIKey of 6-(3-methoxypropyl)indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is BKWQKKMXDYBDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-24-12-6-11-21-18-14-8-3-4-9-15(14)19(22)17(18)13-7-2-5-10-16(13)20(21)23/h2-5,7-10H,6,11-12H2,1H3.
What are the key properties of 6-(3-methoxypropyl)indeno[1,2-c]isoquinoline-5,11-dione?
6-(3-methoxypropyl)indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 319.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropyl)indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 71601374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).