1-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)naphthalen-2-ol

C21H16N2O — CID 2803819

IUPAC1-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C1Nc2ccccc2-n2cccc21
InChIInChI=1S/C21H16N2O/c24-19-12-11-14-6-1-2-7-15(14)20(19)21-18-10-5-13-23(18)17-9-4-3-8-16(17)22-21/h1-13,21-22,24H
InChIKeyPSTSOVPNAZHFPV-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.85
Rot. Bonds1

About 1-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)naphthalen-2-ol

1-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)naphthalen-2-ol (PubChem CID 2803819) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)naphthalen-2-ol
PubChem CID2803819
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name1-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C1Nc2ccccc2-n2cccc21
InChIInChI=1S/C21H16N2O/c24-19-12-11-14-6-1-2-7-15(14)20(19)21-18-10-5-13-23(18)17-9-4-3-8-16(17)22-21/h1-13,21-22,24H
InChIKeyPSTSOVPNAZHFPV-UHFFFAOYSA-N
XLogP4.85
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 1-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)naphthalen-2-ol 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 1-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)naphthalen-2-ol?
The IUPAC name of 1-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)naphthalen-2-ol (CID 2803819) is 1-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)naphthalen-2-ol?
The canonical SMILES for 1-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)naphthalen-2-ol is Oc1ccc2ccccc2c1C1Nc2ccccc2-n2cccc21.
What is the InChIKey of 1-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)naphthalen-2-ol?
The InChIKey is PSTSOVPNAZHFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c24-19-12-11-14-6-1-2-7-15(14)20(19)21-18-10-5-13-23(18)17-9-4-3-8-16(17)22-21/h1-13,21-22,24H.
What are the key properties of 1-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)naphthalen-2-ol?
1-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)naphthalen-2-ol has a molecular weight of 312.37 g/mol, XLogP of 4.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)naphthalen-2-ol is sourced from PubChem (CID 2803819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).