2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline

C22H21N5 — CID 57415141

IUPAC2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
SMILESCc1ccc(C)n2cc(CCc3nc4c5cccnc5ccc4n3C)nc12
InChIInChI=1S/C22H21N5/c1-14-6-7-15(2)27-13-16(24-22(14)27)8-11-20-25-21-17-5-4-12-23-18(17)9-10-19(21)26(20)3/h4-7,9-10,12-13H,8,11H2,1-3H3
InChIKeyGNFLFCMMWKYCRW-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.17
Rot. Bonds3

About 2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline

2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline (PubChem CID 57415141) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline.

Molecular Properties

Compound Name2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
PubChem CID57415141
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
SMILESCc1ccc(C)n2cc(CCc3nc4c5cccnc5ccc4n3C)nc12
InChIInChI=1S/C22H21N5/c1-14-6-7-15(2)27-13-16(24-22(14)27)8-11-20-25-21-17-5-4-12-23-18(17)9-10-19(21)26(20)3/h4-7,9-10,12-13H,8,11H2,1-3H3
InChIKeyGNFLFCMMWKYCRW-UHFFFAOYSA-N
XLogP4.17
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.17
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-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
The IUPAC name of 2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline (CID 57415141) is 2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline.
What is the SMILES notation for 2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
The canonical SMILES for 2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline is Cc1ccc(C)n2cc(CCc3nc4c5cccnc5ccc4n3C)nc12.
What is the InChIKey of 2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
The InChIKey is GNFLFCMMWKYCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-14-6-7-15(2)27-13-16(24-22(14)27)8-11-20-25-21-17-5-4-12-23-18(17)9-10-19(21)26(20)3/h4-7,9-10,12-13H,8,11H2,1-3H3.
What are the key properties of 2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline has a molecular weight of 355.45 g/mol, XLogP of 4.17, 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-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline is sourced from PubChem (CID 57415141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).