1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol

C21H14N2O — CID 137348646

IUPAC1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1nc2ccccc2n2cccc12
InChIInChI=1S/C21H14N2O/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/h1-13,24H
InChIKeyIESKGGHNIDBTKX-UHFFFAOYSA-N
MW310.36 g/mol
LogP5.01
Rot. Bonds1

About 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol

1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol (PubChem CID 137348646) has the molecular formula C21H14N2O and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol.

Molecular Properties

Compound Name1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol
PubChem CID137348646
Molecular FormulaC21H14N2O
Molecular Weight310.36 g/mol
Exact Mass310.11
IUPAC Name1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1nc2ccccc2n2cccc12
InChIInChI=1S/C21H14N2O/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/h1-13,24H
InChIKeyIESKGGHNIDBTKX-UHFFFAOYSA-N
XLogP5.01
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.36
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-4-quinoxalin-2-ylphenol
CID 659650
1-(Quinolin-3-ylaminomethyl)-naphthalen-2-ol
CID 951184
11-methyl-6,11-dihydro-5H-pyrido[4,3-a]carbazol-8-ol
CID 44412031
2-Hydroxy-1-naphthaldehyde 8-quinolinylhydrazone
CID 135425067
3-Methylnaphtho(1,2-E)indol-10-ol
CID 57332
4-[4-(Dimethylamino)phenyl]pyrrolo[1,2-a]quinoxalin-7-ol
CID 127052833
3-Pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-ol
CID 118585705
1-[[2-(1H-indol-3-yl)ethylamino]methyl]naphthalen-2-ol
CID 83454240
4-Pyrrolo[1,2-a]quinoxalin-4-ylphenol
CID 136094853
4-(4-Hydroxyphenyl)pyrrolo[1,2-a]quinoxalin-7-ol
CID 137225003
(1Z)-1-[[(1-methylbenzimidazol-2-yl)amino]methylidene]naphthalen-2-one
CID 135449270
Cyto2H9
CID 2803819

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol?
The IUPAC name of 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol (CID 137348646) is 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol.
What is the SMILES notation for 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol?
The canonical SMILES for 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol is Oc1ccc2ccccc2c1-c1nc2ccccc2n2cccc12.
What is the InChIKey of 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol?
The InChIKey is IESKGGHNIDBTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O/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/h1-13,24H.
What are the key properties of 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol?
1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol has a molecular weight of 310.36 g/mol, XLogP of 5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol is sourced from PubChem (CID 137348646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).