4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-3,5-dimethyl-1,2-oxazole

C16H14Cl2N2O2 — CID 2998510

IUPAC4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1ccc2c(Cl)cc(Cl)c(OCc3c(C)noc3C)c2n1
InChIInChI=1S/C16H14Cl2N2O2/c1-8-4-5-11-13(17)6-14(18)16(15(11)19-8)21-7-12-9(2)20-22-10(12)3/h4-6H,7H2,1-3H3
InChIKeyKEXNTOVGBSZTSS-UHFFFAOYSA-N
MW337.21 g/mol
LogP5.03
Rot. Bonds3

About 4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-3,5-dimethyl-1,2-oxazole

4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 2998510) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is 4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-3,5-dimethyl-1,2-oxazole
PubChem CID2998510
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1ccc2c(Cl)cc(Cl)c(OCc3c(C)noc3C)c2n1
InChIInChI=1S/C16H14Cl2N2O2/c1-8-4-5-11-13(17)6-14(18)16(15(11)19-8)21-7-12-9(2)20-22-10(12)3/h4-6H,7H2,1-3H3
InChIKeyKEXNTOVGBSZTSS-UHFFFAOYSA-N
XLogP5.03
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.21
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-3,5-dimethyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-3,5-dimethyl-1,2-oxazole (CID 2998510) is 4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-3,5-dimethyl-1,2-oxazole is Cc1ccc2c(Cl)cc(Cl)c(OCc3c(C)noc3C)c2n1.
What is the InChIKey of 4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is KEXNTOVGBSZTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-8-4-5-11-13(17)6-14(18)16(15(11)19-8)21-7-12-9(2)20-22-10(12)3/h4-6H,7H2,1-3H3.
What are the key properties of 4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-3,5-dimethyl-1,2-oxazole?
4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 337.21 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 2998510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).