2-chloro-3-naphthalen-2-ylbenzo[f]quinoxaline

C22H13ClN2 — CID 134182583

IUPAC2-chloro-3-naphthalen-2-ylbenzo[f]quinoxaline
SMILESClc1nc2c(ccc3ccccc32)nc1-c1ccc2ccccc2c1
InChIInChI=1S/C22H13ClN2/c23-22-20(17-10-9-14-5-1-2-7-16(14)13-17)24-19-12-11-15-6-3-4-8-18(15)21(19)25-22/h1-13H
InChIKeyKZSPIQGYCGXRBK-UHFFFAOYSA-N
MW340.81 g/mol
LogP6.26
Rot. Bonds1

About 2-chloro-3-naphthalen-2-ylbenzo[f]quinoxaline

2-chloro-3-naphthalen-2-ylbenzo[f]quinoxaline (PubChem CID 134182583) has the molecular formula C22H13ClN2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-chloro-3-naphthalen-2-ylbenzo[f]quinoxaline.

Molecular Properties

Compound Name2-chloro-3-naphthalen-2-ylbenzo[f]quinoxaline
PubChem CID134182583
Molecular FormulaC22H13ClN2
Molecular Weight340.81 g/mol
Exact Mass340.08
IUPAC Name2-chloro-3-naphthalen-2-ylbenzo[f]quinoxaline
SMILESClc1nc2c(ccc3ccccc32)nc1-c1ccc2ccccc2c1
InChIInChI=1S/C22H13ClN2/c23-22-20(17-10-9-14-5-1-2-7-16(14)13-17)24-19-12-11-15-6-3-4-8-18(15)21(19)25-22/h1-13H
InChIKeyKZSPIQGYCGXRBK-UHFFFAOYSA-N
XLogP6.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.81
LogP ≤ 56.26
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-chloro-3-pyridin-2-ylbenzo[f]quinoxaline
CID 146554889
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-chloro-4-naphthalen-2-ylquinoline
CID 118874947
3-naphtho[1,2-b][1]benzofuran-3-yl-2-phenylbenzo[f]quinoxaline
CID 155473874
6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine
CID 58323745
2-(11,11-diphenylbenzo[b]fluoren-8-yl)-3-phenylbenzo[f]quinoxaline
CID 155465596
1-chloro-4-quinolin-6-ylphthalazine
CID 81230738
4-naphthalen-2-ylquinazoline
CID 58881337
2-naphthalen-2-ylphenanthrene
CID 90738367
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
2-naphthalen-2-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline
CID 167087783
2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 174244399

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-naphthalen-2-ylbenzo[f]quinoxaline?
The IUPAC name of 2-chloro-3-naphthalen-2-ylbenzo[f]quinoxaline (CID 134182583) is 2-chloro-3-naphthalen-2-ylbenzo[f]quinoxaline.
What is the SMILES notation for 2-chloro-3-naphthalen-2-ylbenzo[f]quinoxaline?
The canonical SMILES for 2-chloro-3-naphthalen-2-ylbenzo[f]quinoxaline is Clc1nc2c(ccc3ccccc32)nc1-c1ccc2ccccc2c1.
What is the InChIKey of 2-chloro-3-naphthalen-2-ylbenzo[f]quinoxaline?
The InChIKey is KZSPIQGYCGXRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClN2/c23-22-20(17-10-9-14-5-1-2-7-16(14)13-17)24-19-12-11-15-6-3-4-8-18(15)21(19)25-22/h1-13H.
What are the key properties of 2-chloro-3-naphthalen-2-ylbenzo[f]quinoxaline?
2-chloro-3-naphthalen-2-ylbenzo[f]quinoxaline has a molecular weight of 340.81 g/mol, XLogP of 6.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-naphthalen-2-ylbenzo[f]quinoxaline is sourced from PubChem (CID 134182583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).