1-ethyl-2-(naphthalen-2-yloxymethyl)pyrrolo[3,2-b]quinoxaline

C23H19N3O — CID 134812988

IUPAC1-ethyl-2-(naphthalen-2-yloxymethyl)pyrrolo[3,2-b]quinoxaline
SMILESCCn1c(COc2ccc3ccccc3c2)cc2nc3ccccc3nc21
InChIInChI=1S/C23H19N3O/c1-2-26-18(14-22-23(26)25-21-10-6-5-9-20(21)24-22)15-27-19-12-11-16-7-3-4-8-17(16)13-19/h3-14H,2,15H2,1H3
InChIKeyHCFWCBSVCDEXKW-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.34
Rot. Bonds4

About 1-ethyl-2-(naphthalen-2-yloxymethyl)pyrrolo[3,2-b]quinoxaline

1-ethyl-2-(naphthalen-2-yloxymethyl)pyrrolo[3,2-b]quinoxaline (PubChem CID 134812988) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-ethyl-2-(naphthalen-2-yloxymethyl)pyrrolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name1-ethyl-2-(naphthalen-2-yloxymethyl)pyrrolo[3,2-b]quinoxaline
PubChem CID134812988
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name1-ethyl-2-(naphthalen-2-yloxymethyl)pyrrolo[3,2-b]quinoxaline
SMILESCCn1c(COc2ccc3ccccc3c2)cc2nc3ccccc3nc21
InChIInChI=1S/C23H19N3O/c1-2-26-18(14-22-23(26)25-21-10-6-5-9-20(21)24-22)15-27-19-12-11-16-7-3-4-8-17(16)13-19/h3-14H,2,15H2,1H3
InChIKeyHCFWCBSVCDEXKW-UHFFFAOYSA-N
XLogP5.34
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxynaphthalene
CID 118978197
2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole
CID 4238705
1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 4631814
1-methyl-2-(naphthalen-2-yloxymethyl)-5-propan-2-ylpyrrole
CID 140976592
2-[(4-chlorophenoxy)methyl]-1-ethylindole
CID 117173925
1-ethyl-2-[(3-methylphenoxy)methyl]indole
CID 117173866
ethoxyethane;2-ethoxynaphthalene
CID 118982387
2-butyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline
CID 102458937
2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879409
6-ethyl-9-methoxyindolo[3,2-b]quinoxaline
CID 945804
2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 4631817
4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol
CID 117180760

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(naphthalen-2-yloxymethyl)pyrrolo[3,2-b]quinoxaline?
The IUPAC name of 1-ethyl-2-(naphthalen-2-yloxymethyl)pyrrolo[3,2-b]quinoxaline (CID 134812988) is 1-ethyl-2-(naphthalen-2-yloxymethyl)pyrrolo[3,2-b]quinoxaline.
What is the SMILES notation for 1-ethyl-2-(naphthalen-2-yloxymethyl)pyrrolo[3,2-b]quinoxaline?
The canonical SMILES for 1-ethyl-2-(naphthalen-2-yloxymethyl)pyrrolo[3,2-b]quinoxaline is CCn1c(COc2ccc3ccccc3c2)cc2nc3ccccc3nc21.
What is the InChIKey of 1-ethyl-2-(naphthalen-2-yloxymethyl)pyrrolo[3,2-b]quinoxaline?
The InChIKey is HCFWCBSVCDEXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-2-26-18(14-22-23(26)25-21-10-6-5-9-20(21)24-22)15-27-19-12-11-16-7-3-4-8-17(16)13-19/h3-14H,2,15H2,1H3.
What are the key properties of 1-ethyl-2-(naphthalen-2-yloxymethyl)pyrrolo[3,2-b]quinoxaline?
1-ethyl-2-(naphthalen-2-yloxymethyl)pyrrolo[3,2-b]quinoxaline has a molecular weight of 353.43 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(naphthalen-2-yloxymethyl)pyrrolo[3,2-b]quinoxaline is sourced from PubChem (CID 134812988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).