[(3R)-2-oxooxolan-3-yl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate

C21H16ClNO4 — CID 2580520

IUPAC[(3R)-2-oxooxolan-3-yl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
SMILESCc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)O[C@@H]1CCOC1=O
InChIInChI=1S/C21H16ClNO4/c1-12-18(21(25)27-17-9-10-26-20(17)24)15-7-2-3-8-16(15)23-19(12)13-5-4-6-14(22)11-13/h2-8,11,17H,9-10H2,1H3/t17-/m1/s1
InChIKeyKDTRNQWGQIXSBZ-QGZVFWFLSA-N
MW381.81 g/mol
LogP4.34
Rot. Bonds3

About [(3R)-2-oxooxolan-3-yl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate

[(3R)-2-oxooxolan-3-yl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate (PubChem CID 2580520) has the molecular formula C21H16ClNO4 and a molecular weight of 381.81 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
PubChem CID2580520
Molecular FormulaC21H16ClNO4
Molecular Weight381.81 g/mol
Exact Mass381.08
IUPAC Name[(3R)-2-oxooxolan-3-yl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
SMILESCc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)O[C@@H]1CCOC1=O
InChIInChI=1S/C21H16ClNO4/c1-12-18(21(25)27-17-9-10-26-20(17)24)15-7-2-3-8-16(15)23-19(12)13-5-4-6-14(22)11-13/h2-8,11,17H,9-10H2,1H3/t17-/m1/s1
InChIKeyKDTRNQWGQIXSBZ-QGZVFWFLSA-N
XLogP4.34
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.81
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate (CID 2580520) is [(3R)-2-oxooxolan-3-yl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate is Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)O[C@@H]1CCOC1=O.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate?
The InChIKey is KDTRNQWGQIXSBZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H16ClNO4/c1-12-18(21(25)27-17-9-10-26-20(17)24)15-7-2-3-8-16(15)23-19(12)13-5-4-6-14(22)11-13/h2-8,11,17H,9-10H2,1H3/t17-/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate?
[(3R)-2-oxooxolan-3-yl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate has a molecular weight of 381.81 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 2580520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).