3-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline

C21H17N5 — CID 70648748

IUPAC3-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline
SMILESCn1c(CCc2ccc3ncccc3n2)nc2c3cccnc3ccc21
InChIInChI=1S/C21H17N5/c1-26-19-10-9-16-15(4-2-12-22-16)21(19)25-20(26)11-7-14-6-8-17-18(24-14)5-3-13-23-17/h2-6,8-10,12-13H,7,11H2,1H3
InChIKeyAHWABUMXYAQNGX-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.85
Rot. Bonds3

About 3-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline

3-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline (PubChem CID 70648748) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline.

Molecular Properties

Compound Name3-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline
PubChem CID70648748
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name3-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline
SMILESCn1c(CCc2ccc3ncccc3n2)nc2c3cccnc3ccc21
InChIInChI=1S/C21H17N5/c1-26-19-10-9-16-15(4-2-12-22-16)21(19)25-20(26)11-7-14-6-8-17-18(24-14)5-3-13-23-17/h2-6,8-10,12-13H,7,11H2,1H3
InChIKeyAHWABUMXYAQNGX-UHFFFAOYSA-N
XLogP3.85
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline?
The IUPAC name of 3-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline (CID 70648748) is 3-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline.
What is the SMILES notation for 3-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline?
The canonical SMILES for 3-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline is Cn1c(CCc2ccc3ncccc3n2)nc2c3cccnc3ccc21.
What is the InChIKey of 3-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline?
The InChIKey is AHWABUMXYAQNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c1-26-19-10-9-16-15(4-2-12-22-16)21(19)25-20(26)11-7-14-6-8-17-18(24-14)5-3-13-23-17/h2-6,8-10,12-13H,7,11H2,1H3.
What are the key properties of 3-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline?
3-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline has a molecular weight of 339.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline is sourced from PubChem (CID 70648748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).