4-[(7-methoxyquinolin-3-yl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol

C21H17N3O3 — CID 3649357

IUPAC4-[(7-methoxyquinolin-3-yl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
SMILESCOc1ccc2cc(/N=C/c3nc(-c4ccc(C)cc4)oc3O)cnc2c1
InChIInChI=1S/C21H17N3O3/c1-13-3-5-14(6-4-13)20-24-19(21(25)27-20)12-22-16-9-15-7-8-17(26-2)10-18(15)23-11-16/h3-12,25H,1-2H3/b22-12+
InChIKeyCKRIKXBMPNPYSM-WSDLNYQXSA-N
MW359.39 g/mol
LogP4.66
Rot. Bonds4

About 4-[(7-methoxyquinolin-3-yl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol

4-[(7-methoxyquinolin-3-yl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol (PubChem CID 3649357) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-[(7-methoxyquinolin-3-yl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[(7-methoxyquinolin-3-yl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
PubChem CID3649357
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name4-[(7-methoxyquinolin-3-yl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
SMILESCOc1ccc2cc(/N=C/c3nc(-c4ccc(C)cc4)oc3O)cnc2c1
InChIInChI=1S/C21H17N3O3/c1-13-3-5-14(6-4-13)20-24-19(21(25)27-20)12-22-16-9-15-7-8-17(26-2)10-18(15)23-11-16/h3-12,25H,1-2H3/b22-12+
InChIKeyCKRIKXBMPNPYSM-WSDLNYQXSA-N
XLogP4.66
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-methoxyquinolin-3-yl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol?
The IUPAC name of 4-[(7-methoxyquinolin-3-yl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol (CID 3649357) is 4-[(7-methoxyquinolin-3-yl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[(7-methoxyquinolin-3-yl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol?
The canonical SMILES for 4-[(7-methoxyquinolin-3-yl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol is COc1ccc2cc(/N=C/c3nc(-c4ccc(C)cc4)oc3O)cnc2c1.
What is the InChIKey of 4-[(7-methoxyquinolin-3-yl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol?
The InChIKey is CKRIKXBMPNPYSM-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-13-3-5-14(6-4-13)20-24-19(21(25)27-20)12-22-16-9-15-7-8-17(26-2)10-18(15)23-11-16/h3-12,25H,1-2H3/b22-12+.
What are the key properties of 4-[(7-methoxyquinolin-3-yl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol?
4-[(7-methoxyquinolin-3-yl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol has a molecular weight of 359.39 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methoxyquinolin-3-yl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol is sourced from PubChem (CID 3649357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).