3-(4-methoxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-one

C27H23NO4 — CID 70234379

IUPAC3-(4-methoxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-one
SMILESCOc1ccc(C2C(=O)OCC2c2ccc(OCc3ccc4ccccc4n3)cc2)cc1
InChIInChI=1S/C27H23NO4/c1-30-22-12-9-20(10-13-22)26-24(17-32-27(26)29)18-7-14-23(15-8-18)31-16-21-11-6-19-4-2-3-5-25(19)28-21/h2-15,24,26H,16-17H2,1H3
InChIKeyINRKGMPGHIBGNQ-UHFFFAOYSA-N
MW425.48 g/mol
LogP5.25
Rot. Bonds6

About 3-(4-methoxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-one

3-(4-methoxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-one (PubChem CID 70234379) has the molecular formula C27H23NO4 and a molecular weight of 425.48 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-one
PubChem CID70234379
Molecular FormulaC27H23NO4
Molecular Weight425.48 g/mol
Exact Mass425.16
IUPAC Name3-(4-methoxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-one
SMILESCOc1ccc(C2C(=O)OCC2c2ccc(OCc3ccc4ccccc4n3)cc2)cc1
InChIInChI=1S/C27H23NO4/c1-30-22-12-9-20(10-13-22)26-24(17-32-27(26)29)18-7-14-23(15-8-18)31-16-21-11-6-19-4-2-3-5-25(19)28-21/h2-15,24,26H,16-17H2,1H3
InChIKeyINRKGMPGHIBGNQ-UHFFFAOYSA-N
XLogP5.25
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.48
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]-2H-furan-5-one
CID 58368006
(3S,4S)-3-naphthalen-2-yl-4-phenyloxolan-2-one
CID 122222249
N-[4-[5,5-dimethyl-4-oxo-3-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-yl]phenyl]acetamide
CID 70250449
(3S,4S)-3-(4-methoxyphenyl)-4-methyloxolan-2-one
CID 12063777
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline
CID 19864853
[4-(quinolin-2-ylmethoxy)phenyl]methyl methanesulfonate
CID 152710097
2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline
CID 104707445
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
[(3S,4R)-3-(4-methoxyphenoxy)-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-yl] 2-(dimethylamino)acetate;dihydrochloride
CID 67592418
4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-one?
The IUPAC name of 3-(4-methoxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-one (CID 70234379) is 3-(4-methoxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-one?
The canonical SMILES for 3-(4-methoxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-one is COc1ccc(C2C(=O)OCC2c2ccc(OCc3ccc4ccccc4n3)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-one?
The InChIKey is INRKGMPGHIBGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO4/c1-30-22-12-9-20(10-13-22)26-24(17-32-27(26)29)18-7-14-23(15-8-18)31-16-21-11-6-19-4-2-3-5-25(19)28-21/h2-15,24,26H,16-17H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-one?
3-(4-methoxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-one has a molecular weight of 425.48 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-one is sourced from PubChem (CID 70234379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).