(2-oxooxolan-3-yl) 3-ethyl-2-propylquinoline-4-carboxylate

C19H21NO4 — CID 2999115

IUPAC(2-oxooxolan-3-yl) 3-ethyl-2-propylquinoline-4-carboxylate
SMILESCCCc1nc2ccccc2c(C(=O)OC2CCOC2=O)c1CC
InChIInChI=1S/C19H21NO4/c1-3-7-14-12(4-2)17(13-8-5-6-9-15(13)20-14)19(22)24-16-10-11-23-18(16)21/h5-6,8-9,16H,3-4,7,10-11H2,1-2H3
InChIKeyVYJAGZZMXFTGGI-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.22
Rot. Bonds5

About (2-oxooxolan-3-yl) 3-ethyl-2-propylquinoline-4-carboxylate

(2-oxooxolan-3-yl) 3-ethyl-2-propylquinoline-4-carboxylate (PubChem CID 2999115) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 3-ethyl-2-propylquinoline-4-carboxylate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 3-ethyl-2-propylquinoline-4-carboxylate
PubChem CID2999115
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(2-oxooxolan-3-yl) 3-ethyl-2-propylquinoline-4-carboxylate
SMILESCCCc1nc2ccccc2c(C(=O)OC2CCOC2=O)c1CC
InChIInChI=1S/C19H21NO4/c1-3-7-14-12(4-2)17(13-8-5-6-9-15(13)20-14)19(22)24-16-10-11-23-18(16)21/h5-6,8-9,16H,3-4,7,10-11H2,1-2H3
InChIKeyVYJAGZZMXFTGGI-UHFFFAOYSA-N
XLogP3.22
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 3-ethyl-2-propylquinoline-4-carboxylate?
The IUPAC name of (2-oxooxolan-3-yl) 3-ethyl-2-propylquinoline-4-carboxylate (CID 2999115) is (2-oxooxolan-3-yl) 3-ethyl-2-propylquinoline-4-carboxylate.
What is the SMILES notation for (2-oxooxolan-3-yl) 3-ethyl-2-propylquinoline-4-carboxylate?
The canonical SMILES for (2-oxooxolan-3-yl) 3-ethyl-2-propylquinoline-4-carboxylate is CCCc1nc2ccccc2c(C(=O)OC2CCOC2=O)c1CC.
What is the InChIKey of (2-oxooxolan-3-yl) 3-ethyl-2-propylquinoline-4-carboxylate?
The InChIKey is VYJAGZZMXFTGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-7-14-12(4-2)17(13-8-5-6-9-15(13)20-14)19(22)24-16-10-11-23-18(16)21/h5-6,8-9,16H,3-4,7,10-11H2,1-2H3.
What are the key properties of (2-oxooxolan-3-yl) 3-ethyl-2-propylquinoline-4-carboxylate?
(2-oxooxolan-3-yl) 3-ethyl-2-propylquinoline-4-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 3-ethyl-2-propylquinoline-4-carboxylate is sourced from PubChem (CID 2999115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).