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

C21H15F2N5 — CID 70098732

IUPAC2-[2-(5,8-difluoroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
SMILESCn1c(CCc2cnc3c(F)ccc(F)c3n2)nc2c3cccnc3ccc21
InChIInChI=1S/C21H15F2N5/c1-28-17-8-7-16-13(3-2-10-24-16)19(17)27-18(28)9-4-12-11-25-20-14(22)5-6-15(23)21(20)26-12/h2-3,5-8,10-11H,4,9H2,1H3
InChIKeySJEFTMMIIBPYNY-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.13
Rot. Bonds3

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

2-[2-(5,8-difluoroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline (PubChem CID 70098732) has the molecular formula C21H15F2N5 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-[2-(5,8-difluoroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline.

Molecular Properties

Compound Name2-[2-(5,8-difluoroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
PubChem CID70098732
Molecular FormulaC21H15F2N5
Molecular Weight375.38 g/mol
Exact Mass375.13
IUPAC Name2-[2-(5,8-difluoroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
SMILESCn1c(CCc2cnc3c(F)ccc(F)c3n2)nc2c3cccnc3ccc21
InChIInChI=1S/C21H15F2N5/c1-28-17-8-7-16-13(3-2-10-24-16)19(17)27-18(28)9-4-12-11-25-20-14(22)5-6-15(23)21(20)26-12/h2-3,5-8,10-11H,4,9H2,1H3
InChIKeySJEFTMMIIBPYNY-UHFFFAOYSA-N
XLogP4.13
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,8-difluoroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
The IUPAC name of 2-[2-(5,8-difluoroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline (CID 70098732) is 2-[2-(5,8-difluoroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline.
What is the SMILES notation for 2-[2-(5,8-difluoroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
The canonical SMILES for 2-[2-(5,8-difluoroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline is Cn1c(CCc2cnc3c(F)ccc(F)c3n2)nc2c3cccnc3ccc21.
What is the InChIKey of 2-[2-(5,8-difluoroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
The InChIKey is SJEFTMMIIBPYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5/c1-28-17-8-7-16-13(3-2-10-24-16)19(17)27-18(28)9-4-12-11-25-20-14(22)5-6-15(23)21(20)26-12/h2-3,5-8,10-11H,4,9H2,1H3.
What are the key properties of 2-[2-(5,8-difluoroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
2-[2-(5,8-difluoroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline has a molecular weight of 375.38 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,8-difluoroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline is sourced from PubChem (CID 70098732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).