3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide

C21H16ClN3O3 — CID 1311750

IUPAC3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c2ncccc2c1
InChIInChI=1S/C21H16ClN3O3/c1-12-18(20(25-28-12)15-7-3-4-8-16(15)22)21(26)24-17-11-14(27-2)10-13-6-5-9-23-19(13)17/h3-11H,1-2H3,(H,24,26)
InChIKeyQBBZDMJXFIUUTJ-UHFFFAOYSA-N
MW393.83 g/mol
LogP5.11
Rot. Bonds4

About 3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1311750) has the molecular formula C21H16ClN3O3 and a molecular weight of 393.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1311750
Molecular FormulaC21H16ClN3O3
Molecular Weight393.83 g/mol
Exact Mass393.09
IUPAC Name3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c2ncccc2c1
InChIInChI=1S/C21H16ClN3O3/c1-12-18(20(25-28-12)15-7-3-4-8-16(15)22)21(26)24-17-11-14(27-2)10-13-6-5-9-23-19(13)17/h3-11H,1-2H3,(H,24,26)
InChIKeyQBBZDMJXFIUUTJ-UHFFFAOYSA-N
XLogP5.11
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.83
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 1311750) is 3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide is COc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c2ncccc2c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is QBBZDMJXFIUUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3/c1-12-18(20(25-28-12)15-7-3-4-8-16(15)22)21(26)24-17-11-14(27-2)10-13-6-5-9-23-19(13)17/h3-11H,1-2H3,(H,24,26).
What are the key properties of 3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 393.83 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(6-methoxyquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1311750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).