1-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-N-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)quinoline-3-carboxamide

C23H22F3N3O4 — CID 177374007

IUPAC1-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-N-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)quinoline-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cn(CC(=O)NC(C)CO)c2cc(C(F)(F)F)ccc2c1=O
InChIInChI=1S/C23H22F3N3O4/c1-13-5-3-4-6-18(13)28-22(33)17-10-29(11-20(31)27-14(2)12-30)19-9-15(23(24,25)26)7-8-16(19)21(17)32/h3-10,14,30H,11-12H2,1-2H3,(H,27,31)(H,28,33)
InChIKeySVFBLIKLMOBPFI-UHFFFAOYSA-N
MW461.44 g/mol
LogP3.08
Rot. Bonds6

About 1-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-N-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)quinoline-3-carboxamide

1-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-N-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 177374007) has the molecular formula C23H22F3N3O4 and a molecular weight of 461.44 g/mol. Its IUPAC name is 1-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-N-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-N-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID177374007
Molecular FormulaC23H22F3N3O4
Molecular Weight461.44 g/mol
Exact Mass461.16
IUPAC Name1-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-N-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)quinoline-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cn(CC(=O)NC(C)CO)c2cc(C(F)(F)F)ccc2c1=O
InChIInChI=1S/C23H22F3N3O4/c1-13-5-3-4-6-18(13)28-22(33)17-10-29(11-20(31)27-14(2)12-30)19-9-15(23(24,25)26)7-8-16(19)21(17)32/h3-10,14,30H,11-12H2,1-2H3,(H,27,31)(H,28,33)
InChIKeySVFBLIKLMOBPFI-UHFFFAOYSA-N
XLogP3.08
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-N-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)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 1-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-N-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of 1-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-N-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)quinoline-3-carboxamide (CID 177374007) is 1-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-N-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for 1-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-N-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for 1-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-N-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)quinoline-3-carboxamide is Cc1ccccc1NC(=O)c1cn(CC(=O)NC(C)CO)c2cc(C(F)(F)F)ccc2c1=O.
What is the InChIKey of 1-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-N-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is SVFBLIKLMOBPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O4/c1-13-5-3-4-6-18(13)28-22(33)17-10-29(11-20(31)27-14(2)12-30)19-9-15(23(24,25)26)7-8-16(19)21(17)32/h3-10,14,30H,11-12H2,1-2H3,(H,27,31)(H,28,33).
What are the key properties of 1-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-N-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)quinoline-3-carboxamide?
1-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-N-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 461.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-N-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 177374007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).