[4-(1,4-dioxan-2-yl)quinolin-2-yl]methyl formate

C15H15NO4 — CID 175310261

IUPAC[4-(1,4-dioxan-2-yl)quinolin-2-yl]methyl formate
SMILESO=COCc1cc(C2COCCO2)c2ccccc2n1
InChIInChI=1S/C15H15NO4/c17-10-19-8-11-7-13(15-9-18-5-6-20-15)12-3-1-2-4-14(12)16-11/h1-4,7,10,15H,5-6,8-9H2
InChIKeyILDVCBYQMMJKHN-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.00
Rot. Bonds4

About [4-(1,4-dioxan-2-yl)quinolin-2-yl]methyl formate

[4-(1,4-dioxan-2-yl)quinolin-2-yl]methyl formate (PubChem CID 175310261) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is [4-(1,4-dioxan-2-yl)quinolin-2-yl]methyl formate.

Molecular Properties

Compound Name[4-(1,4-dioxan-2-yl)quinolin-2-yl]methyl formate
PubChem CID175310261
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name[4-(1,4-dioxan-2-yl)quinolin-2-yl]methyl formate
SMILESO=COCc1cc(C2COCCO2)c2ccccc2n1
InChIInChI=1S/C15H15NO4/c17-10-19-8-11-7-13(15-9-18-5-6-20-15)12-3-1-2-4-14(12)16-11/h1-4,7,10,15H,5-6,8-9H2
InChIKeyILDVCBYQMMJKHN-UHFFFAOYSA-N
XLogP2.00
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Quinoline-2-methanol acetate
CID 273161
2-(3-Methyloxiran-2-yl)quinoline
CID 10330043
2-(3-Phenyloxiran-2-yl)quinoline
CID 318052
9-Oxiranyl-acridine
CID 44264635
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(quinolin-2-ylmethoxy)oxane-3,5-diol
CID 164612054
1,2-Epoxy-1-(2-quinolyl)pentane
CID 130253
4-(1,4-Dioxan-2-yl)-7-fluoro-2-methylquinoline
CID 146170128
2-(Methoxymethyl)quinoline
CID 251558
[Acetyloxy(quinolin-2-yl)methyl] acetate
CID 21750377
4-(Oxiran-2-yl)-2-phenylquinoline
CID 344157
Chimanine D
CID 10442411
4-(1,4-Dioxan-2-yl)-6-fluoro-2-methylquinoline
CID 146169874

Frequently Asked Questions

What is the IUPAC name of [4-(1,4-dioxan-2-yl)quinolin-2-yl]methyl formate?
The IUPAC name of [4-(1,4-dioxan-2-yl)quinolin-2-yl]methyl formate (CID 175310261) is [4-(1,4-dioxan-2-yl)quinolin-2-yl]methyl formate.
What is the SMILES notation for [4-(1,4-dioxan-2-yl)quinolin-2-yl]methyl formate?
The canonical SMILES for [4-(1,4-dioxan-2-yl)quinolin-2-yl]methyl formate is O=COCc1cc(C2COCCO2)c2ccccc2n1.
What is the InChIKey of [4-(1,4-dioxan-2-yl)quinolin-2-yl]methyl formate?
The InChIKey is ILDVCBYQMMJKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-10-19-8-11-7-13(15-9-18-5-6-20-15)12-3-1-2-4-14(12)16-11/h1-4,7,10,15H,5-6,8-9H2.
What are the key properties of [4-(1,4-dioxan-2-yl)quinolin-2-yl]methyl formate?
[4-(1,4-dioxan-2-yl)quinolin-2-yl]methyl formate has a molecular weight of 273.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,4-dioxan-2-yl)quinolin-2-yl]methyl formate is sourced from PubChem (CID 175310261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).