4-[3-(oxiran-2-yl)propoxymethyl]quinoline

C15H17NO2 — CID 91038526

IUPAC4-[3-(oxiran-2-yl)propoxymethyl]quinoline
SMILESc1ccc2c(COCCCC3CO3)ccnc2c1
InChIInChI=1S/C15H17NO2/c1-2-6-15-14(5-1)12(7-8-16-15)10-17-9-3-4-13-11-18-13/h1-2,5-8,13H,3-4,9-11H2
InChIKeyLHYMJQLANYFVPW-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.93
Rot. Bonds6

About 4-[3-(oxiran-2-yl)propoxymethyl]quinoline

4-[3-(oxiran-2-yl)propoxymethyl]quinoline (PubChem CID 91038526) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[3-(oxiran-2-yl)propoxymethyl]quinoline.

Molecular Properties

Compound Name4-[3-(oxiran-2-yl)propoxymethyl]quinoline
PubChem CID91038526
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-[3-(oxiran-2-yl)propoxymethyl]quinoline
SMILESc1ccc2c(COCCCC3CO3)ccnc2c1
InChIInChI=1S/C15H17NO2/c1-2-6-15-14(5-1)12(7-8-16-15)10-17-9-3-4-13-11-18-13/h1-2,5-8,13H,3-4,9-11H2
InChIKeyLHYMJQLANYFVPW-UHFFFAOYSA-N
XLogP2.93
TPSA34.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(3-phenoxypropyl)oxirane
CID 23468414
2-methyl-6-(quinolin-4-ylmethoxymethyl)morpholine
CID 102634147
1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanone
CID 114979595
2-(quinolin-4-ylmethyl)morpholine
CID 116985426
3-(quinolin-4-ylmethoxy)cyclopentan-1-amine
CID 79466097
4-(chloromethyl)-8-(quinolin-4-ylmethoxymethyl)quinoline
CID 138483988
1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one
CID 103543731
1-(5-methyloxolan-2-yl)-2-quinolin-4-ylethanone
CID 114979776
[2-(quinolin-4-ylmethoxy)cyclopentyl]methanamine
CID 79235747
quinolin-4-ylmethyl hydrogen carbonate
CID 154246402
3-(quinolin-4-ylmethyl)oxan-4-ol
CID 106471125
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221

Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxiran-2-yl)propoxymethyl]quinoline?
The IUPAC name of 4-[3-(oxiran-2-yl)propoxymethyl]quinoline (CID 91038526) is 4-[3-(oxiran-2-yl)propoxymethyl]quinoline.
What is the SMILES notation for 4-[3-(oxiran-2-yl)propoxymethyl]quinoline?
The canonical SMILES for 4-[3-(oxiran-2-yl)propoxymethyl]quinoline is c1ccc2c(COCCCC3CO3)ccnc2c1.
What is the InChIKey of 4-[3-(oxiran-2-yl)propoxymethyl]quinoline?
The InChIKey is LHYMJQLANYFVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-6-15-14(5-1)12(7-8-16-15)10-17-9-3-4-13-11-18-13/h1-2,5-8,13H,3-4,9-11H2.
What are the key properties of 4-[3-(oxiran-2-yl)propoxymethyl]quinoline?
4-[3-(oxiran-2-yl)propoxymethyl]quinoline has a molecular weight of 243.31 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxiran-2-yl)propoxymethyl]quinoline is sourced from PubChem (CID 91038526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).