3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline

C21H17N5 — CID 70648747

IUPAC3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline
SMILESCn1c(CCc2ccc3cccnc3n2)nc2c3cccnc3ccc21
InChIInChI=1S/C21H17N5/c1-26-18-10-9-17-16(5-3-12-22-17)20(18)25-19(26)11-8-15-7-6-14-4-2-13-23-21(14)24-15/h2-7,9-10,12-13H,8,11H2,1H3
InChIKeyPENOFLVJTGREPN-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.85
Rot. Bonds3

About 3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline

3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline (PubChem CID 70648747) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline.

Molecular Properties

Compound Name3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline
PubChem CID70648747
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline
SMILESCn1c(CCc2ccc3cccnc3n2)nc2c3cccnc3ccc21
InChIInChI=1S/C21H17N5/c1-26-18-10-9-17-16(5-3-12-22-17)20(18)25-19(26)11-8-15-7-6-14-4-2-13-23-21(14)24-15/h2-7,9-10,12-13H,8,11H2,1H3
InChIKeyPENOFLVJTGREPN-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-(1,8-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline?
The IUPAC name of 3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline (CID 70648747) is 3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline.
What is the SMILES notation for 3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline?
The canonical SMILES for 3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline is Cn1c(CCc2ccc3cccnc3n2)nc2c3cccnc3ccc21.
What is the InChIKey of 3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline?
The InChIKey is PENOFLVJTGREPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c1-26-18-10-9-17-16(5-3-12-22-17)20(18)25-19(26)11-8-15-7-6-14-4-2-13-23-21(14)24-15/h2-7,9-10,12-13H,8,11H2,1H3.
What are the key properties of 3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline?
3-methyl-2-[2-(1,8-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-(1,8-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline is sourced from PubChem (CID 70648747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).