[(3S)-2-oxooxolan-3-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate

C25H19NO5 — CID 7395314

IUPAC[(3S)-2-oxooxolan-3-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
SMILESCOc1ccc2cc(-c3cc(C(=O)O[C@H]4CCOC4=O)c4ccccc4n3)ccc2c1
InChIInChI=1S/C25H19NO5/c1-29-18-9-8-15-12-17(7-6-16(15)13-18)22-14-20(19-4-2-3-5-21(19)26-22)24(27)31-23-10-11-30-25(23)28/h2-9,12-14,23H,10-11H2,1H3/t23-/m0/s1
InChIKeyQFRZTQSTRIIKCW-QHCPKHFHSA-N
MW413.43 g/mol
LogP4.54
Rot. Bonds4

About [(3S)-2-oxooxolan-3-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate

[(3S)-2-oxooxolan-3-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate (PubChem CID 7395314) has the molecular formula C25H19NO5 and a molecular weight of 413.43 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
PubChem CID7395314
Molecular FormulaC25H19NO5
Molecular Weight413.43 g/mol
Exact Mass413.13
IUPAC Name[(3S)-2-oxooxolan-3-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
SMILESCOc1ccc2cc(-c3cc(C(=O)O[C@H]4CCOC4=O)c4ccccc4n3)ccc2c1
InChIInChI=1S/C25H19NO5/c1-29-18-9-8-15-12-17(7-6-16(15)13-18)22-14-20(19-4-2-3-5-21(19)26-22)24(27)31-23-10-11-30-25(23)28/h2-9,12-14,23H,10-11H2,1H3/t23-/m0/s1
InChIKeyQFRZTQSTRIIKCW-QHCPKHFHSA-N
XLogP4.54
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-2-oxooxolan-3-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate with MolForge

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Related Compounds

[(3S)-2-oxooxolan-3-yl] 6-methoxy-2-phenylquinoline-4-carboxylate
CID 7132382
(2-oxooxolan-3-yl) 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 3877730
[(3R)-2-oxooxolan-3-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2082794
(2-methoxy-2-oxoethyl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 16568659
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 16528643
N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
CID 112818191
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 23937440
[(3S)-2-oxooxolan-3-yl] 4-methoxynaphthalene-1-carboxylate
CID 8595816
cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 23823125
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 2353574
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 4658233
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 16528642

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate (CID 7395314) is [(3S)-2-oxooxolan-3-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate is COc1ccc2cc(-c3cc(C(=O)O[C@H]4CCOC4=O)c4ccccc4n3)ccc2c1.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate?
The InChIKey is QFRZTQSTRIIKCW-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H19NO5/c1-29-18-9-8-15-12-17(7-6-16(15)13-18)22-14-20(19-4-2-3-5-21(19)26-22)24(27)31-23-10-11-30-25(23)28/h2-9,12-14,23H,10-11H2,1H3/t23-/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate?
[(3S)-2-oxooxolan-3-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate has a molecular weight of 413.43 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 7395314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).