[2-hydroxy-2-(4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propyl] acetate

C17H19NO5 — CID 3107433

IUPAC[2-hydroxy-2-(4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propyl] acetate
SMILESCOc1c2c(nc3ccccc13)OC(C(C)(O)COC(C)=O)C2
InChIInChI=1S/C17H19NO5/c1-10(19)22-9-17(2,20)14-8-12-15(21-3)11-6-4-5-7-13(11)18-16(12)23-14/h4-7,14,20H,8-9H2,1-3H3
InChIKeyICXADQHBWHLSCI-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.86
Rot. Bonds4

About [2-hydroxy-2-(4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propyl] acetate

[2-hydroxy-2-(4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propyl] acetate (PubChem CID 3107433) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is [2-hydroxy-2-(4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propyl] acetate.

Molecular Properties

Compound Name[2-hydroxy-2-(4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propyl] acetate
PubChem CID3107433
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name[2-hydroxy-2-(4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propyl] acetate
SMILESCOc1c2c(nc3ccccc13)OC(C(C)(O)COC(C)=O)C2
InChIInChI=1S/C17H19NO5/c1-10(19)22-9-17(2,20)14-8-12-15(21-3)11-6-4-5-7-13(11)18-16(12)23-14/h4-7,14,20H,8-9H2,1-3H3
InChIKeyICXADQHBWHLSCI-UHFFFAOYSA-N
XLogP1.86
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-(4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propyl] acetate?
The IUPAC name of [2-hydroxy-2-(4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propyl] acetate (CID 3107433) is [2-hydroxy-2-(4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propyl] acetate.
What is the SMILES notation for [2-hydroxy-2-(4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propyl] acetate?
The canonical SMILES for [2-hydroxy-2-(4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propyl] acetate is COc1c2c(nc3ccccc13)OC(C(C)(O)COC(C)=O)C2.
What is the InChIKey of [2-hydroxy-2-(4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propyl] acetate?
The InChIKey is ICXADQHBWHLSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-10(19)22-9-17(2,20)14-8-12-15(21-3)11-6-4-5-7-13(11)18-16(12)23-14/h4-7,14,20H,8-9H2,1-3H3.
What are the key properties of [2-hydroxy-2-(4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propyl] acetate?
[2-hydroxy-2-(4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propyl] acetate has a molecular weight of 317.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propyl] acetate is sourced from PubChem (CID 3107433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).