2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]quinoline

C19H18N4 — CID 71617114

IUPAC2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]quinoline
SMILESCc1cc(C)n2cc(CCc3ccc4ccccc4n3)nc2n1
InChIInChI=1S/C19H18N4/c1-13-11-14(2)23-12-17(22-19(23)20-13)10-9-16-8-7-15-5-3-4-6-18(15)21-16/h3-8,11-12H,9-10H2,1-2H3
InChIKeyDXCCBCLBIKQMTN-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.68
Rot. Bonds3

About 2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]quinoline

2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]quinoline (PubChem CID 71617114) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]quinoline.

Molecular Properties

Compound Name2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]quinoline
PubChem CID71617114
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]quinoline
SMILESCc1cc(C)n2cc(CCc3ccc4ccccc4n3)nc2n1
InChIInChI=1S/C19H18N4/c1-13-11-14(2)23-12-17(22-19(23)20-13)10-9-16-8-7-15-5-3-4-6-18(15)21-16/h3-8,11-12H,9-10H2,1-2H3
InChIKeyDXCCBCLBIKQMTN-UHFFFAOYSA-N
XLogP3.68
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 24898732
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]quinoline?
The IUPAC name of 2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]quinoline (CID 71617114) is 2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]quinoline.
What is the SMILES notation for 2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]quinoline?
The canonical SMILES for 2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]quinoline is Cc1cc(C)n2cc(CCc3ccc4ccccc4n3)nc2n1.
What is the InChIKey of 2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]quinoline?
The InChIKey is DXCCBCLBIKQMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-13-11-14(2)23-12-17(22-19(23)20-13)10-9-16-8-7-15-5-3-4-6-18(15)21-16/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]quinoline?
2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]quinoline has a molecular weight of 302.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]quinoline is sourced from PubChem (CID 71617114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).