2-(naphthalen-1-ylmethyl)benzo[f]quinoxaline

C23H16N2 — CID 158138493

IUPAC2-(naphthalen-1-ylmethyl)benzo[f]quinoxaline
SMILESc1ccc2c(Cc3cnc4ccc5ccccc5c4n3)cccc2c1
InChIInChI=1S/C23H16N2/c1-3-10-20-16(6-1)8-5-9-18(20)14-19-15-24-22-13-12-17-7-2-4-11-21(17)23(22)25-19/h1-13,15H,14H2
InChIKeySDZCJXXJMALPMY-UHFFFAOYSA-N
MW320.40 g/mol
LogP5.53
Rot. Bonds2

About 2-(naphthalen-1-ylmethyl)benzo[f]quinoxaline

2-(naphthalen-1-ylmethyl)benzo[f]quinoxaline (PubChem CID 158138493) has the molecular formula C23H16N2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)benzo[f]quinoxaline.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)benzo[f]quinoxaline
PubChem CID158138493
Molecular FormulaC23H16N2
Molecular Weight320.40 g/mol
Exact Mass320.13
IUPAC Name2-(naphthalen-1-ylmethyl)benzo[f]quinoxaline
SMILESc1ccc2c(Cc3cnc4ccc5ccccc5c4n3)cccc2c1
InChIInChI=1S/C23H16N2/c1-3-10-20-16(6-1)8-5-9-18(20)14-19-15-24-22-13-12-17-7-2-4-11-21(17)23(22)25-19/h1-13,15H,14H2
InChIKeySDZCJXXJMALPMY-UHFFFAOYSA-N
XLogP5.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.40
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(naphthalen-2-ylmethyl)benzo[f]quinoxaline
CID 158149711
2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 9184
2-tert-butylbenzo[f]quinoxaline
CID 164810163
2-(4-phenylphenyl)benzo[f]quinoxaline
CID 164807898
CID 66760372
CID 66760372
2,9-bis(naphthalen-1-ylmethoxymethyl)-1,10-phenanthroline
CID 11489274
CID 57419547
CID 57419547
2-(naphthalen-1-ylmethyl)naphthalen-1-ol
CID 15617878
6,9-diazapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 87476732
2-(naphthalen-1-ylmethyl)-5-phenyl-1H-imidazole
CID 45137155
5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine
CID 112703157
2-(naphthalen-2-ylmethyl)quinoxaline
CID 158138489

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)benzo[f]quinoxaline?
The IUPAC name of 2-(naphthalen-1-ylmethyl)benzo[f]quinoxaline (CID 158138493) is 2-(naphthalen-1-ylmethyl)benzo[f]quinoxaline.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)benzo[f]quinoxaline?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)benzo[f]quinoxaline is c1ccc2c(Cc3cnc4ccc5ccccc5c4n3)cccc2c1.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)benzo[f]quinoxaline?
The InChIKey is SDZCJXXJMALPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2/c1-3-10-20-16(6-1)8-5-9-18(20)14-19-15-24-22-13-12-17-7-2-4-11-21(17)23(22)25-19/h1-13,15H,14H2.
What are the key properties of 2-(naphthalen-1-ylmethyl)benzo[f]quinoxaline?
2-(naphthalen-1-ylmethyl)benzo[f]quinoxaline has a molecular weight of 320.40 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)benzo[f]quinoxaline is sourced from PubChem (CID 158138493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).