[(2S)-oxolan-2-yl]methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

C23H23NO5 — CID 39902956

IUPAC[(2S)-oxolan-2-yl]methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OC[C@@H]3CCCO3)c3ccccc3n2)cc1OC
InChIInChI=1S/C23H23NO5/c1-26-21-10-9-15(12-22(21)27-2)20-13-18(17-7-3-4-8-19(17)24-20)23(25)29-14-16-6-5-11-28-16/h3-4,7-10,12-13,16H,5-6,11,14H2,1-2H3/t16-/m0/s1
InChIKeyYBRRYKJYRWSABU-INIZCTEOSA-N
MW393.44 g/mol
LogP4.25
Rot. Bonds6

About [(2S)-oxolan-2-yl]methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

[(2S)-oxolan-2-yl]methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate (PubChem CID 39902956) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
PubChem CID39902956
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name[(2S)-oxolan-2-yl]methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OC[C@@H]3CCCO3)c3ccccc3n2)cc1OC
InChIInChI=1S/C23H23NO5/c1-26-21-10-9-15(12-22(21)27-2)20-13-18(17-7-3-4-8-19(17)24-20)23(25)29-14-16-6-5-11-28-16/h3-4,7-10,12-13,16H,5-6,11,14H2,1-2H3/t16-/m0/s1
InChIKeyYBRRYKJYRWSABU-INIZCTEOSA-N
XLogP4.25
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 16530903
[(2S)-oxolan-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate
CID 94829407
cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 23823125
(2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 42968678
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 51695382
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 8820337
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate
CID 2389461
(2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2434662
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2458555
[(2R)-1-amino-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 7417732
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate
CID 2129314
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2693430

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of [(2S)-oxolan-2-yl]methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate (CID 39902956) is [(2S)-oxolan-2-yl]methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for [(2S)-oxolan-2-yl]methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for [(2S)-oxolan-2-yl]methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate is COc1ccc(-c2cc(C(=O)OC[C@@H]3CCCO3)c3ccccc3n2)cc1OC.
What is the InChIKey of [(2S)-oxolan-2-yl]methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
The InChIKey is YBRRYKJYRWSABU-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23NO5/c1-26-21-10-9-15(12-22(21)27-2)20-13-18(17-7-3-4-8-19(17)24-20)23(25)29-14-16-6-5-11-28-16/h3-4,7-10,12-13,16H,5-6,11,14H2,1-2H3/t16-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
[(2S)-oxolan-2-yl]methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 39902956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).