7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methylanilino)quinoline-3-carboxamide

C22H20N4O2 — CID 70693763

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methylanilino)quinoline-3-carboxamide
SMILESCc1ccc(Nc2c(C(N)=O)cnc3cc(-c4c(C)noc4C)ccc23)cc1
InChIInChI=1S/C22H20N4O2/c1-12-4-7-16(8-5-12)25-21-17-9-6-15(20-13(2)26-28-14(20)3)10-19(17)24-11-18(21)22(23)27/h4-11H,1-3H3,(H2,23,27)(H,24,25)
InChIKeyOISNLTWKOFGLOU-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.66
Rot. Bonds4

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methylanilino)quinoline-3-carboxamide

7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methylanilino)quinoline-3-carboxamide (PubChem CID 70693763) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methylanilino)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methylanilino)quinoline-3-carboxamide
PubChem CID70693763
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methylanilino)quinoline-3-carboxamide
SMILESCc1ccc(Nc2c(C(N)=O)cnc3cc(-c4c(C)noc4C)ccc23)cc1
InChIInChI=1S/C22H20N4O2/c1-12-4-7-16(8-5-12)25-21-17-9-6-15(20-13(2)26-28-14(20)3)10-19(17)24-11-18(21)22(23)27/h4-11H,1-3H3,(H2,23,27)(H,24,25)
InChIKeyOISNLTWKOFGLOU-UHFFFAOYSA-N
XLogP4.66
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methylanilino)quinoline-3-carboxamide 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)-4-(4-methylanilino)quinoline-3-carboxamide?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methylanilino)quinoline-3-carboxamide (CID 70693763) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methylanilino)quinoline-3-carboxamide.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methylanilino)quinoline-3-carboxamide?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methylanilino)quinoline-3-carboxamide is Cc1ccc(Nc2c(C(N)=O)cnc3cc(-c4c(C)noc4C)ccc23)cc1.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methylanilino)quinoline-3-carboxamide?
The InChIKey is OISNLTWKOFGLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-12-4-7-16(8-5-12)25-21-17-9-6-15(20-13(2)26-28-14(20)3)10-19(17)24-11-18(21)22(23)27/h4-11H,1-3H3,(H2,23,27)(H,24,25).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methylanilino)quinoline-3-carboxamide?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methylanilino)quinoline-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 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)-4-(4-methylanilino)quinoline-3-carboxamide is sourced from PubChem (CID 70693763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).