(2-oxooxolan-3-yl) 2-(4-methoxyphenyl)quinoline-4-carboxylate

C21H17NO5 — CID 3690908

IUPAC(2-oxooxolan-3-yl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OC3CCOC3=O)c3ccccc3n2)cc1
InChIInChI=1S/C21H17NO5/c1-25-14-8-6-13(7-9-14)18-12-16(15-4-2-3-5-17(15)22-18)20(23)27-19-10-11-26-21(19)24/h2-9,12,19H,10-11H2,1H3
InChIKeyPRPTXEHMVVHHEF-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.38
Rot. Bonds4

About (2-oxooxolan-3-yl) 2-(4-methoxyphenyl)quinoline-4-carboxylate

(2-oxooxolan-3-yl) 2-(4-methoxyphenyl)quinoline-4-carboxylate (PubChem CID 3690908) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-(4-methoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
PubChem CID3690908
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Name(2-oxooxolan-3-yl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OC3CCOC3=O)c3ccccc3n2)cc1
InChIInChI=1S/C21H17NO5/c1-25-14-8-6-13(7-9-14)18-12-16(15-4-2-3-5-17(15)22-18)20(23)27-19-10-11-26-21(19)24/h2-9,12,19H,10-11H2,1H3
InChIKeyPRPTXEHMVVHHEF-UHFFFAOYSA-N
XLogP3.38
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of (2-oxooxolan-3-yl) 2-(4-methoxyphenyl)quinoline-4-carboxylate (CID 3690908) is (2-oxooxolan-3-yl) 2-(4-methoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-(4-methoxyphenyl)quinoline-4-carboxylate is COc1ccc(-c2cc(C(=O)OC3CCOC3=O)c3ccccc3n2)cc1.
What is the InChIKey of (2-oxooxolan-3-yl) 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The InChIKey is PRPTXEHMVVHHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5/c1-25-14-8-6-13(7-9-14)18-12-16(15-4-2-3-5-17(15)22-18)20(23)27-19-10-11-26-21(19)24/h2-9,12,19H,10-11H2,1H3.
What are the key properties of (2-oxooxolan-3-yl) 2-(4-methoxyphenyl)quinoline-4-carboxylate?
(2-oxooxolan-3-yl) 2-(4-methoxyphenyl)quinoline-4-carboxylate has a molecular weight of 363.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-(4-methoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 3690908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).