2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide

C25H23F3N4O4 — CID 134391533

IUPAC2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide
SMILESCOc1cc2cc(-c3ccc(CC(=O)Nc4cc(C(C)(C)C(F)(F)F)no4)cn3)cnc2cc1OC
InChIInChI=1S/C25H23F3N4O4/c1-24(2,25(26,27)28)21-11-23(36-32-21)31-22(33)7-14-5-6-17(29-12-14)16-8-15-9-19(34-3)20(35-4)10-18(15)30-13-16/h5-6,8-13H,7H2,1-4H3,(H,31,33)
InChIKeyKOLQINCWMXQEOF-UHFFFAOYSA-N
MW500.48 g/mol
LogP5.32
Rot. Bonds7

About 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide

2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide (PubChem CID 134391533) has the molecular formula C25H23F3N4O4 and a molecular weight of 500.48 g/mol. Its IUPAC name is 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide
PubChem CID134391533
Molecular FormulaC25H23F3N4O4
Molecular Weight500.48 g/mol
Exact Mass500.17
IUPAC Name2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide
SMILESCOc1cc2cc(-c3ccc(CC(=O)Nc4cc(C(C)(C)C(F)(F)F)no4)cn3)cnc2cc1OC
InChIInChI=1S/C25H23F3N4O4/c1-24(2,25(26,27)28)21-11-23(36-32-21)31-22(33)7-14-5-6-17(29-12-14)16-8-15-9-19(34-3)20(35-4)10-18(15)30-13-16/h5-6,8-13H,7H2,1-4H3,(H,31,33)
InChIKeyKOLQINCWMXQEOF-UHFFFAOYSA-N
XLogP5.32
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide with MolForge

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Related Compounds

6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-carboxamide
CID 24824447
3-[(3-Cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide
CID 5328855
4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
CID 127029779
4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide
CID 162661735
4-(2-Fluorophenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 9945927
4-(2-Fluoro-5-methylphenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 10108847
4-(3-Fluorophenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 10132097
4-(2-Fluoro-4-methylphenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 10155136
4-(2,5-Difluorophenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 10291931
6,7-Dimethoxy-4-(4-methoxyphenylamino)quinoline-3-carboxamide
CID 22170203
4-(2,3-Dimethylphenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 22170285
4-(4-(Dimethylamino)phenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 22170298

Frequently Asked Questions

What is the IUPAC name of 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide (CID 134391533) is 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide is COc1cc2cc(-c3ccc(CC(=O)Nc4cc(C(C)(C)C(F)(F)F)no4)cn3)cnc2cc1OC.
What is the InChIKey of 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is KOLQINCWMXQEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O4/c1-24(2,25(26,27)28)21-11-23(36-32-21)31-22(33)7-14-5-6-17(29-12-14)16-8-15-9-19(34-3)20(35-4)10-18(15)30-13-16/h5-6,8-13H,7H2,1-4H3,(H,31,33).
What are the key properties of 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide?
2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 500.48 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 134391533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).