(2-chloro-7-methoxyquinolin-3-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

C24H21ClN2O5 — CID 16513072

IUPAC(2-chloro-7-methoxyquinolin-3-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCOc1ccc2cc(COC(=O)c3ccccc3OCc3c(C)noc3C)c(Cl)nc2c1
InChIInChI=1S/C24H21ClN2O5/c1-14-20(15(2)32-27-14)13-30-22-7-5-4-6-19(22)24(28)31-12-17-10-16-8-9-18(29-3)11-21(16)26-23(17)25/h4-11H,12-13H2,1-3H3
InChIKeyHWAJAODVYGEZMX-UHFFFAOYSA-N
MW452.89 g/mol
LogP5.44
Rot. Bonds7

About (2-chloro-7-methoxyquinolin-3-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

(2-chloro-7-methoxyquinolin-3-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (PubChem CID 16513072) has the molecular formula C24H21ClN2O5 and a molecular weight of 452.89 g/mol. Its IUPAC name is (2-chloro-7-methoxyquinolin-3-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name(2-chloro-7-methoxyquinolin-3-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
PubChem CID16513072
Molecular FormulaC24H21ClN2O5
Molecular Weight452.89 g/mol
Exact Mass452.11
IUPAC Name(2-chloro-7-methoxyquinolin-3-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCOc1ccc2cc(COC(=O)c3ccccc3OCc3c(C)noc3C)c(Cl)nc2c1
InChIInChI=1S/C24H21ClN2O5/c1-14-20(15(2)32-27-14)13-30-22-7-5-4-6-19(22)24(28)31-12-17-10-16-8-9-18(29-3)11-21(16)26-23(17)25/h4-11H,12-13H2,1-3H3
InChIKeyHWAJAODVYGEZMX-UHFFFAOYSA-N
XLogP5.44
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.89
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-chloro-7-methoxyquinolin-3-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate with MolForge

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Launch Full Analysis

Related Compounds

(2-chloro-7-methylquinolin-3-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 31751944
methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxybenzoate
CID 30234133
(2-chloro-7-methoxyquinolin-3-yl)methyl 4-amino-5-chloro-2-methoxybenzoate
CID 16578291
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-hydroxy-3-methoxybenzoate
CID 18075732
2-phenylethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55335080
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 25163296
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 46675040
[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55422617
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 31105164
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 30471712
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7654825
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 31133315

Frequently Asked Questions

What is the IUPAC name of (2-chloro-7-methoxyquinolin-3-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The IUPAC name of (2-chloro-7-methoxyquinolin-3-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (CID 16513072) is (2-chloro-7-methoxyquinolin-3-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.
What is the SMILES notation for (2-chloro-7-methoxyquinolin-3-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The canonical SMILES for (2-chloro-7-methoxyquinolin-3-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is COc1ccc2cc(COC(=O)c3ccccc3OCc3c(C)noc3C)c(Cl)nc2c1.
What is the InChIKey of (2-chloro-7-methoxyquinolin-3-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The InChIKey is HWAJAODVYGEZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O5/c1-14-20(15(2)32-27-14)13-30-22-7-5-4-6-19(22)24(28)31-12-17-10-16-8-9-18(29-3)11-21(16)26-23(17)25/h4-11H,12-13H2,1-3H3.
What are the key properties of (2-chloro-7-methoxyquinolin-3-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
(2-chloro-7-methoxyquinolin-3-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate has a molecular weight of 452.89 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-7-methoxyquinolin-3-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 16513072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).