(2-methylquinolin-8-yl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

C23H20N2O4 — CID 8898519

IUPAC(2-methylquinolin-8-yl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCc1ccc2cccc(OC(=O)c3ccc(OCc4c(C)noc4C)cc3)c2n1
InChIInChI=1S/C23H20N2O4/c1-14-7-8-17-5-4-6-21(22(17)24-14)28-23(26)18-9-11-19(12-10-18)27-13-20-15(2)25-29-16(20)3/h4-12H,13H2,1-3H3
InChIKeyFJXRJWCBGRJDGW-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.95
Rot. Bonds5

About (2-methylquinolin-8-yl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

(2-methylquinolin-8-yl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (PubChem CID 8898519) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is (2-methylquinolin-8-yl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name(2-methylquinolin-8-yl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
PubChem CID8898519
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name(2-methylquinolin-8-yl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCc1ccc2cccc(OC(=O)c3ccc(OCc4c(C)noc4C)cc3)c2n1
InChIInChI=1S/C23H20N2O4/c1-14-7-8-17-5-4-6-21(22(17)24-14)28-23(26)18-9-11-19(12-10-18)27-13-20-15(2)25-29-16(20)3/h4-12H,13H2,1-3H3
InChIKeyFJXRJWCBGRJDGW-UHFFFAOYSA-N
XLogP4.95
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2-methylquinolin-8-yl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate with MolForge

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Related Compounds

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
(3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 32713086
methyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]oxynaphthalene-2-carboxylate
CID 55337962
[2-(dimethylamino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7625862
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 110494797
methyl 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 34754685
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 4797668
(2-methylquinolin-8-yl) 4-[(4-methylphenyl)sulfonylmethyl]benzoate
CID 126183233
[(3S)-2-oxooxolan-3-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2444678
2-(3-chlorophenoxy)ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 8850253
[2-(4-chlorophenyl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2409547
[(1S)-2-oxocyclohexyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7240208

Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-8-yl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The IUPAC name of (2-methylquinolin-8-yl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (CID 8898519) is (2-methylquinolin-8-yl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.
What is the SMILES notation for (2-methylquinolin-8-yl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The canonical SMILES for (2-methylquinolin-8-yl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is Cc1ccc2cccc(OC(=O)c3ccc(OCc4c(C)noc4C)cc3)c2n1.
What is the InChIKey of (2-methylquinolin-8-yl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The InChIKey is FJXRJWCBGRJDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-14-7-8-17-5-4-6-21(22(17)24-14)28-23(26)18-9-11-19(12-10-18)27-13-20-15(2)25-29-16(20)3/h4-12H,13H2,1-3H3.
What are the key properties of (2-methylquinolin-8-yl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
(2-methylquinolin-8-yl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate has a molecular weight of 388.42 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-8-yl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 8898519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).