2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline

C21H16ClN5 — CID 70648619

IUPAC2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
SMILESCn1c(CCc2cnc3cccc(Cl)c3n2)nc2c3cccnc3ccc21
InChIInChI=1S/C21H16ClN5/c1-27-18-9-8-16-14(4-3-11-23-16)20(18)26-19(27)10-7-13-12-24-17-6-2-5-15(22)21(17)25-13/h2-6,8-9,11-12H,7,10H2,1H3
InChIKeyPFXOCNQADIAPEO-UHFFFAOYSA-N
MW373.85 g/mol
LogP4.50
Rot. Bonds3

About 2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline

2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline (PubChem CID 70648619) has the molecular formula C21H16ClN5 and a molecular weight of 373.85 g/mol. Its IUPAC name is 2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline.

Molecular Properties

Compound Name2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
PubChem CID70648619
Molecular FormulaC21H16ClN5
Molecular Weight373.85 g/mol
Exact Mass373.11
IUPAC Name2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
SMILESCn1c(CCc2cnc3cccc(Cl)c3n2)nc2c3cccnc3ccc21
InChIInChI=1S/C21H16ClN5/c1-27-18-9-8-16-14(4-3-11-23-16)20(18)26-19(27)10-7-13-12-24-17-6-2-5-15(22)21(17)25-13/h2-6,8-9,11-12H,7,10H2,1H3
InChIKeyPFXOCNQADIAPEO-UHFFFAOYSA-N
XLogP4.50
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.85
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
The IUPAC name of 2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline (CID 70648619) is 2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline.
What is the SMILES notation for 2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
The canonical SMILES for 2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline is Cn1c(CCc2cnc3cccc(Cl)c3n2)nc2c3cccnc3ccc21.
What is the InChIKey of 2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
The InChIKey is PFXOCNQADIAPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5/c1-27-18-9-8-16-14(4-3-11-23-16)20(18)26-19(27)10-7-13-12-24-17-6-2-5-15(22)21(17)25-13/h2-6,8-9,11-12H,7,10H2,1H3.
What are the key properties of 2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline has a molecular weight of 373.85 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline is sourced from PubChem (CID 70648619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).