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

C20H14ClNO4 — CID 3877730

IUPAC(2-oxooxolan-3-yl) 2-(4-chlorophenyl)quinoline-4-carboxylate
SMILESO=C(OC1CCOC1=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C20H14ClNO4/c21-13-7-5-12(6-8-13)17-11-15(14-3-1-2-4-16(14)22-17)19(23)26-18-9-10-25-20(18)24/h1-8,11,18H,9-10H2
InChIKeyZKCNFYXILVBSSV-UHFFFAOYSA-N
MW367.79 g/mol
LogP4.03
Rot. Bonds3

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

(2-oxooxolan-3-yl) 2-(4-chlorophenyl)quinoline-4-carboxylate (PubChem CID 3877730) has the molecular formula C20H14ClNO4 and a molecular weight of 367.79 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-(4-chlorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-(4-chlorophenyl)quinoline-4-carboxylate
PubChem CID3877730
Molecular FormulaC20H14ClNO4
Molecular Weight367.79 g/mol
Exact Mass367.06
IUPAC Name(2-oxooxolan-3-yl) 2-(4-chlorophenyl)quinoline-4-carboxylate
SMILESO=C(OC1CCOC1=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C20H14ClNO4/c21-13-7-5-12(6-8-13)17-11-15(14-3-1-2-4-16(14)22-17)19(23)26-18-9-10-25-20(18)24/h1-8,11,18H,9-10H2
InChIKeyZKCNFYXILVBSSV-UHFFFAOYSA-N
XLogP4.03
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-2-oxooxolan-3-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 7395314
[(3R)-2-oxooxolan-3-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2082794
[(3S)-2-oxooxolan-3-yl] 6-methoxy-2-phenylquinoline-4-carboxylate
CID 7132382
[(3R)-2-oxooxolan-3-yl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 2580520
1,3-benzodioxol-5-yl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 5011282
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 9081685
(2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 7701146
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 2646694
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 2114772
1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
CID 2094903
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-(4-chlorophenyl)quinoline-4-carboxylate?
The IUPAC name of (2-oxooxolan-3-yl) 2-(4-chlorophenyl)quinoline-4-carboxylate (CID 3877730) is (2-oxooxolan-3-yl) 2-(4-chlorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-(4-chlorophenyl)quinoline-4-carboxylate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-(4-chlorophenyl)quinoline-4-carboxylate is O=C(OC1CCOC1=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of (2-oxooxolan-3-yl) 2-(4-chlorophenyl)quinoline-4-carboxylate?
The InChIKey is ZKCNFYXILVBSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO4/c21-13-7-5-12(6-8-13)17-11-15(14-3-1-2-4-16(14)22-17)19(23)26-18-9-10-25-20(18)24/h1-8,11,18H,9-10H2.
What are the key properties of (2-oxooxolan-3-yl) 2-(4-chlorophenyl)quinoline-4-carboxylate?
(2-oxooxolan-3-yl) 2-(4-chlorophenyl)quinoline-4-carboxylate has a molecular weight of 367.79 g/mol, XLogP of 4.03, 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-(4-chlorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 3877730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).