5-chloro-8-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)quinoline

C16H11ClN4O — CID 2997964

IUPAC5-chloro-8-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)quinoline
SMILESClc1ccc(OCc2cn3cccnc3n2)c2ncccc12
InChIInChI=1S/C16H11ClN4O/c17-13-4-5-14(15-12(13)3-1-6-18-15)22-10-11-9-21-8-2-7-19-16(21)20-11/h1-9H,10H2
InChIKeyWEATWSHJRYOINE-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.51
Rot. Bonds3

About 5-chloro-8-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)quinoline

5-chloro-8-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)quinoline (PubChem CID 2997964) has the molecular formula C16H11ClN4O and a molecular weight of 310.74 g/mol. Its IUPAC name is 5-chloro-8-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)quinoline.

Molecular Properties

Compound Name5-chloro-8-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)quinoline
PubChem CID2997964
Molecular FormulaC16H11ClN4O
Molecular Weight310.74 g/mol
Exact Mass310.06
IUPAC Name5-chloro-8-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)quinoline
SMILESClc1ccc(OCc2cn3cccnc3n2)c2ncccc12
InChIInChI=1S/C16H11ClN4O/c17-13-4-5-14(15-12(13)3-1-6-18-15)22-10-11-9-21-8-2-7-19-16(21)20-11/h1-9H,10H2
InChIKeyWEATWSHJRYOINE-UHFFFAOYSA-N
XLogP3.51
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)quinoline?
The IUPAC name of 5-chloro-8-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)quinoline (CID 2997964) is 5-chloro-8-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)quinoline.
What is the SMILES notation for 5-chloro-8-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)quinoline?
The canonical SMILES for 5-chloro-8-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)quinoline is Clc1ccc(OCc2cn3cccnc3n2)c2ncccc12.
What is the InChIKey of 5-chloro-8-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)quinoline?
The InChIKey is WEATWSHJRYOINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O/c17-13-4-5-14(15-12(13)3-1-6-18-15)22-10-11-9-21-8-2-7-19-16(21)20-11/h1-9H,10H2.
What are the key properties of 5-chloro-8-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)quinoline?
5-chloro-8-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)quinoline has a molecular weight of 310.74 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)quinoline is sourced from PubChem (CID 2997964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).