7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluorophenyl)-6-methoxyquinolin-4-amine

C21H18FN3O2 — CID 71462842

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluorophenyl)-6-methoxyquinolin-4-amine
SMILESCOc1cc2c(Nc3ccccc3F)ccnc2cc1-c1c(C)noc1C
InChIInChI=1S/C21H18FN3O2/c1-12-21(13(2)27-25-12)15-10-19-14(11-20(15)26-3)17(8-9-23-19)24-18-7-5-4-6-16(18)22/h4-11H,1-3H3,(H,23,24)
InChIKeyCVBSGMKDMQGNAG-UHFFFAOYSA-N
MW363.39 g/mol
LogP5.40
Rot. Bonds4

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluorophenyl)-6-methoxyquinolin-4-amine

7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluorophenyl)-6-methoxyquinolin-4-amine (PubChem CID 71462842) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluorophenyl)-6-methoxyquinolin-4-amine.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluorophenyl)-6-methoxyquinolin-4-amine
PubChem CID71462842
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluorophenyl)-6-methoxyquinolin-4-amine
SMILESCOc1cc2c(Nc3ccccc3F)ccnc2cc1-c1c(C)noc1C
InChIInChI=1S/C21H18FN3O2/c1-12-21(13(2)27-25-12)15-10-19-14(11-20(15)26-3)17(8-9-23-19)24-18-7-5-4-6-16(18)22/h4-11H,1-3H3,(H,23,24)
InChIKeyCVBSGMKDMQGNAG-UHFFFAOYSA-N
XLogP5.40
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.39
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluorophenyl)-6-methoxyquinolin-4-amine 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 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluorophenyl)-6-methoxyquinolin-4-amine?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluorophenyl)-6-methoxyquinolin-4-amine (CID 71462842) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluorophenyl)-6-methoxyquinolin-4-amine.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluorophenyl)-6-methoxyquinolin-4-amine?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluorophenyl)-6-methoxyquinolin-4-amine is COc1cc2c(Nc3ccccc3F)ccnc2cc1-c1c(C)noc1C.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluorophenyl)-6-methoxyquinolin-4-amine?
The InChIKey is CVBSGMKDMQGNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-12-21(13(2)27-25-12)15-10-19-14(11-20(15)26-3)17(8-9-23-19)24-18-7-5-4-6-16(18)22/h4-11H,1-3H3,(H,23,24).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluorophenyl)-6-methoxyquinolin-4-amine?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluorophenyl)-6-methoxyquinolin-4-amine has a molecular weight of 363.39 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluorophenyl)-6-methoxyquinolin-4-amine is sourced from PubChem (CID 71462842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).