6-(3-morpholin-4-ylpropyl)indeno[2,1-f][1,7]naphthyridine-5,11-dione

C22H21N3O3 — CID 127044239

IUPAC6-(3-morpholin-4-ylpropyl)indeno[2,1-f][1,7]naphthyridine-5,11-dione
SMILESO=C1c2ccccc2-c2c1c1cccnc1c(=O)n2CCCN1CCOCC1
InChIInChI=1S/C22H21N3O3/c26-21-16-6-2-1-5-15(16)20-18(21)17-7-3-8-23-19(17)22(27)25(20)10-4-9-24-11-13-28-14-12-24/h1-3,5-8H,4,9-14H2
InChIKeyHICQBKOKORWOBE-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.33
Rot. Bonds4

About 6-(3-morpholin-4-ylpropyl)indeno[2,1-f][1,7]naphthyridine-5,11-dione

6-(3-morpholin-4-ylpropyl)indeno[2,1-f][1,7]naphthyridine-5,11-dione (PubChem CID 127044239) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-(3-morpholin-4-ylpropyl)indeno[2,1-f][1,7]naphthyridine-5,11-dione.

Molecular Properties

Compound Name6-(3-morpholin-4-ylpropyl)indeno[2,1-f][1,7]naphthyridine-5,11-dione
PubChem CID127044239
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name6-(3-morpholin-4-ylpropyl)indeno[2,1-f][1,7]naphthyridine-5,11-dione
SMILESO=C1c2ccccc2-c2c1c1cccnc1c(=O)n2CCCN1CCOCC1
InChIInChI=1S/C22H21N3O3/c26-21-16-6-2-1-5-15(16)20-18(21)17-7-3-8-23-19(17)22(27)25(20)10-4-9-24-11-13-28-14-12-24/h1-3,5-8H,4,9-14H2
InChIKeyHICQBKOKORWOBE-UHFFFAOYSA-N
XLogP2.33
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(3-morpholin-4-ylpropyl)indeno[2,1-f][1,7]naphthyridine-5,11-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-morpholin-4-ylpropyl)indeno[2,1-f][1,7]naphthyridine-5,11-dione?
The IUPAC name of 6-(3-morpholin-4-ylpropyl)indeno[2,1-f][1,7]naphthyridine-5,11-dione (CID 127044239) is 6-(3-morpholin-4-ylpropyl)indeno[2,1-f][1,7]naphthyridine-5,11-dione.
What is the SMILES notation for 6-(3-morpholin-4-ylpropyl)indeno[2,1-f][1,7]naphthyridine-5,11-dione?
The canonical SMILES for 6-(3-morpholin-4-ylpropyl)indeno[2,1-f][1,7]naphthyridine-5,11-dione is O=C1c2ccccc2-c2c1c1cccnc1c(=O)n2CCCN1CCOCC1.
What is the InChIKey of 6-(3-morpholin-4-ylpropyl)indeno[2,1-f][1,7]naphthyridine-5,11-dione?
The InChIKey is HICQBKOKORWOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-21-16-6-2-1-5-15(16)20-18(21)17-7-3-8-23-19(17)22(27)25(20)10-4-9-24-11-13-28-14-12-24/h1-3,5-8H,4,9-14H2.
What are the key properties of 6-(3-morpholin-4-ylpropyl)indeno[2,1-f][1,7]naphthyridine-5,11-dione?
6-(3-morpholin-4-ylpropyl)indeno[2,1-f][1,7]naphthyridine-5,11-dione has a molecular weight of 375.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-morpholin-4-ylpropyl)indeno[2,1-f][1,7]naphthyridine-5,11-dione is sourced from PubChem (CID 127044239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).