3-[(6-deuterio-2-pyridinyl)oxymethyl]quinoline

C15H12N2O — CID 175710410

IUPAC3-[(6-deuterio-2-pyridinyl)oxymethyl]quinoline
SMILES[2H]c1cccc(OCc2cnc3ccccc3c2)n1
InChIInChI=1S/C15H12N2O/c1-2-6-14-13(5-1)9-12(10-17-14)11-18-15-7-3-4-8-16-15/h1-10H,11H2/i8D
InChIKeyFQSUXFJMEIBECA-BNEYPBHNSA-N
MW237.28 g/mol
LogP3.21
Rot. Bonds3

About 3-[(6-deuterio-2-pyridinyl)oxymethyl]quinoline

3-[(6-deuterio-2-pyridinyl)oxymethyl]quinoline (PubChem CID 175710410) has the molecular formula C15H12N2O and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-[(6-deuterio-2-pyridinyl)oxymethyl]quinoline.

Molecular Properties

Compound Name3-[(6-deuterio-2-pyridinyl)oxymethyl]quinoline
PubChem CID175710410
Molecular FormulaC15H12N2O
Molecular Weight237.28 g/mol
Exact Mass237.10
IUPAC Name3-[(6-deuterio-2-pyridinyl)oxymethyl]quinoline
SMILES[2H]c1cccc(OCc2cnc3ccccc3c2)n1
InChIInChI=1S/C15H12N2O/c1-2-6-14-13(5-1)9-12(10-17-14)11-18-15-7-3-4-8-16-15/h1-10H,11H2/i8D
InChIKeyFQSUXFJMEIBECA-BNEYPBHNSA-N
XLogP3.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(quinolin-3-ylmethoxy)aniline
CID 19733697
3-[(4-fluorophenoxy)methyl]quinoline
CID 174564086
quinolin-3-ylmethyl acetate
CID 101032812
2-quinolin-3-ylethanol
CID 53403774
3-(2,2,2-trifluoroethyl)quinoline
CID 102230069
2-quinolin-3-ylethanamine;hydrochloride
CID 68724239
3-(2-methylpropyl)quinoline
CID 12072851
3-(2-phenoxyethyl)quinoline
CID 54129983
4-[2-(quinolin-3-ylmethoxy)ethyl]morpholine
CID 59259721
3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline
CID 18678270
O-(3-quinolin-3-ylpropyl)hydroxylamine
CID 54489779
quinolin-3-ylmethyl 4-(4-hydroxyphenyl)benzoate
CID 10832034

Frequently Asked Questions

What is the IUPAC name of 3-[(6-deuterio-2-pyridinyl)oxymethyl]quinoline?
The IUPAC name of 3-[(6-deuterio-2-pyridinyl)oxymethyl]quinoline (CID 175710410) is 3-[(6-deuterio-2-pyridinyl)oxymethyl]quinoline.
What is the SMILES notation for 3-[(6-deuterio-2-pyridinyl)oxymethyl]quinoline?
The canonical SMILES for 3-[(6-deuterio-2-pyridinyl)oxymethyl]quinoline is [2H]c1cccc(OCc2cnc3ccccc3c2)n1.
What is the InChIKey of 3-[(6-deuterio-2-pyridinyl)oxymethyl]quinoline?
The InChIKey is FQSUXFJMEIBECA-BNEYPBHNSA-N. The full InChI is InChI=1S/C15H12N2O/c1-2-6-14-13(5-1)9-12(10-17-14)11-18-15-7-3-4-8-16-15/h1-10H,11H2/i8D.
What are the key properties of 3-[(6-deuterio-2-pyridinyl)oxymethyl]quinoline?
3-[(6-deuterio-2-pyridinyl)oxymethyl]quinoline has a molecular weight of 237.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-deuterio-2-pyridinyl)oxymethyl]quinoline is sourced from PubChem (CID 175710410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).