2,6,8-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide

C22H20N4O2 — CID 70750036

IUPAC2,6,8-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide
SMILESCc1cc(C)c2nc(C)cc(C(=O)NCc3cc(-c4ccccn4)no3)c2c1
InChIInChI=1S/C22H20N4O2/c1-13-8-14(2)21-17(9-13)18(10-15(3)25-21)22(27)24-12-16-11-20(26-28-16)19-6-4-5-7-23-19/h4-11H,12H2,1-3H3,(H,24,27)
InChIKeyGNDVIGUCRWRYRA-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.14
Rot. Bonds4

About 2,6,8-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide

2,6,8-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide (PubChem CID 70750036) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2,6,8-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2,6,8-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide
PubChem CID70750036
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2,6,8-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide
SMILESCc1cc(C)c2nc(C)cc(C(=O)NCc3cc(-c4ccccn4)no3)c2c1
InChIInChI=1S/C22H20N4O2/c1-13-8-14(2)21-17(9-13)18(10-15(3)25-21)22(27)24-12-16-11-20(26-28-16)19-6-4-5-7-23-19/h4-11H,12H2,1-3H3,(H,24,27)
InChIKeyGNDVIGUCRWRYRA-UHFFFAOYSA-N
XLogP4.14
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,6,8-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-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 2,6,8-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2,6,8-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide (CID 70750036) is 2,6,8-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2,6,8-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2,6,8-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide is Cc1cc(C)c2nc(C)cc(C(=O)NCc3cc(-c4ccccn4)no3)c2c1.
What is the InChIKey of 2,6,8-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide?
The InChIKey is GNDVIGUCRWRYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-13-8-14(2)21-17(9-13)18(10-15(3)25-21)22(27)24-12-16-11-20(26-28-16)19-6-4-5-7-23-19/h4-11H,12H2,1-3H3,(H,24,27).
What are the key properties of 2,6,8-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide?
2,6,8-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 70750036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).