(4-hexoxy-2-oxo-1H-quinolin-3-yl) formate

C16H19NO4 — CID 140979730

IUPAC(4-hexoxy-2-oxo-1H-quinolin-3-yl) formate
SMILESCCCCCCOc1c(OC=O)c(=O)[nH]c2ccccc12
InChIInChI=1S/C16H19NO4/c1-2-3-4-7-10-20-14-12-8-5-6-9-13(12)17-16(19)15(14)21-11-18/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,17,19)
InChIKeyGEJZNWZDQFSHBX-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.02
Rot. Bonds8

About (4-hexoxy-2-oxo-1H-quinolin-3-yl) formate

(4-hexoxy-2-oxo-1H-quinolin-3-yl) formate (PubChem CID 140979730) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is (4-hexoxy-2-oxo-1H-quinolin-3-yl) formate.

Molecular Properties

Compound Name(4-hexoxy-2-oxo-1H-quinolin-3-yl) formate
PubChem CID140979730
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(4-hexoxy-2-oxo-1H-quinolin-3-yl) formate
SMILESCCCCCCOc1c(OC=O)c(=O)[nH]c2ccccc12
InChIInChI=1S/C16H19NO4/c1-2-3-4-7-10-20-14-12-8-5-6-9-13(12)17-16(19)15(14)21-11-18/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,17,19)
InChIKeyGEJZNWZDQFSHBX-UHFFFAOYSA-N
XLogP3.02
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-hexoxy-2-oxo-1H-quinolin-3-yl) formate?
The IUPAC name of (4-hexoxy-2-oxo-1H-quinolin-3-yl) formate (CID 140979730) is (4-hexoxy-2-oxo-1H-quinolin-3-yl) formate.
What is the SMILES notation for (4-hexoxy-2-oxo-1H-quinolin-3-yl) formate?
The canonical SMILES for (4-hexoxy-2-oxo-1H-quinolin-3-yl) formate is CCCCCCOc1c(OC=O)c(=O)[nH]c2ccccc12.
What is the InChIKey of (4-hexoxy-2-oxo-1H-quinolin-3-yl) formate?
The InChIKey is GEJZNWZDQFSHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-2-3-4-7-10-20-14-12-8-5-6-9-13(12)17-16(19)15(14)21-11-18/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,17,19).
What are the key properties of (4-hexoxy-2-oxo-1H-quinolin-3-yl) formate?
(4-hexoxy-2-oxo-1H-quinolin-3-yl) formate has a molecular weight of 289.33 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hexoxy-2-oxo-1H-quinolin-3-yl) formate is sourced from PubChem (CID 140979730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).