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

C19H16N2O3 — CID 53388506

IUPAC6-(3-amino-2-hydroxypropyl)indeno[1,2-c]isoquinoline-5,11-dione
SMILESNCC(O)Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C19H16N2O3/c20-9-11(22)10-21-17-13-6-2-3-7-14(13)18(23)16(17)12-5-1-4-8-15(12)19(21)24/h1-8,11,22H,9-10,20H2
InChIKeyHHLLMRFSKVNTSS-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.53
Rot. Bonds3

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

6-(3-amino-2-hydroxypropyl)indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 53388506) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-(3-amino-2-hydroxypropyl)indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-(3-amino-2-hydroxypropyl)indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID53388506
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name6-(3-amino-2-hydroxypropyl)indeno[1,2-c]isoquinoline-5,11-dione
SMILESNCC(O)Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C19H16N2O3/c20-9-11(22)10-21-17-13-6-2-3-7-14(13)18(23)16(17)12-5-1-4-8-15(12)19(21)24/h1-8,11,22H,9-10,20H2
InChIKeyHHLLMRFSKVNTSS-UHFFFAOYSA-N
XLogP1.53
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-amino-2-hydroxypropyl)indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-(3-amino-2-hydroxypropyl)indeno[1,2-c]isoquinoline-5,11-dione (CID 53388506) is 6-(3-amino-2-hydroxypropyl)indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-(3-amino-2-hydroxypropyl)indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-(3-amino-2-hydroxypropyl)indeno[1,2-c]isoquinoline-5,11-dione is NCC(O)Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2.
What is the InChIKey of 6-(3-amino-2-hydroxypropyl)indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is HHLLMRFSKVNTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c20-9-11(22)10-21-17-13-6-2-3-7-14(13)18(23)16(17)12-5-1-4-8-15(12)19(21)24/h1-8,11,22H,9-10,20H2.
What are the key properties of 6-(3-amino-2-hydroxypropyl)indeno[1,2-c]isoquinoline-5,11-dione?
6-(3-amino-2-hydroxypropyl)indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 320.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-2-hydroxypropyl)indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 53388506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).