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

C17H17NO4 — CID 2998570

IUPAC(2-oxooxolan-3-yl) 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OC2CCOC2=O)c1C
InChIInChI=1S/C17H17NO4/c1-3-12-10(2)15(11-6-4-5-7-13(11)18-12)17(20)22-14-8-9-21-16(14)19/h4-7,14H,3,8-9H2,1-2H3
InChIKeyYONMAXUAQSKVJI-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.58
Rot. Bonds3

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

(2-oxooxolan-3-yl) 2-ethyl-3-methylquinoline-4-carboxylate (PubChem CID 2998570) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-ethyl-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-ethyl-3-methylquinoline-4-carboxylate
PubChem CID2998570
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(2-oxooxolan-3-yl) 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OC2CCOC2=O)c1C
InChIInChI=1S/C17H17NO4/c1-3-12-10(2)15(11-6-4-5-7-13(11)18-12)17(20)22-14-8-9-21-16(14)19/h4-7,14H,3,8-9H2,1-2H3
InChIKeyYONMAXUAQSKVJI-UHFFFAOYSA-N
XLogP2.58
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.58
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) 2-ethyl-3-methylquinoline-4-carboxylate?
The IUPAC name of (2-oxooxolan-3-yl) 2-ethyl-3-methylquinoline-4-carboxylate (CID 2998570) is (2-oxooxolan-3-yl) 2-ethyl-3-methylquinoline-4-carboxylate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-ethyl-3-methylquinoline-4-carboxylate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-ethyl-3-methylquinoline-4-carboxylate is CCc1nc2ccccc2c(C(=O)OC2CCOC2=O)c1C.
What is the InChIKey of (2-oxooxolan-3-yl) 2-ethyl-3-methylquinoline-4-carboxylate?
The InChIKey is YONMAXUAQSKVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-3-12-10(2)15(11-6-4-5-7-13(11)18-12)17(20)22-14-8-9-21-16(14)19/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of (2-oxooxolan-3-yl) 2-ethyl-3-methylquinoline-4-carboxylate?
(2-oxooxolan-3-yl) 2-ethyl-3-methylquinoline-4-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-ethyl-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 2998570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).