N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

C23H24F3N3O3 — CID 25333292

About N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (PubChem CID 25333292) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
• PubChem CID: 25333292
• Molecular Formula: C23H24F3N3O3
• Molecular Weight: 447.46 g/mol
• Exact Mass: 447.18
• IUPAC Name: N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
• SMILES: O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
• InChI: InChI=1S/C23H24F3N3O3/c24-23(25,26)17-6-7-20(29-9-11-32-12-10-29)19(14-17)27-21(30)8-5-16-13-15-3-1-2-4-18(15)28-22(16)31/h1-4,6-7,14,16H,5,8-13H2,(H,27,30)(H,28,31)/t16-/m1/s1
• InChIKey: SAQVMTUIAVXZOQ-MRXNPFEDSA-N
• XLogP: 4.07
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.46
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?

The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (CID 25333292) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.

What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?

The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.

What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?

The InChIKey is SAQVMTUIAVXZOQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c24-23(25,26)17-6-7-20(29-9-11-32-12-10-29)19(14-17)27-21(30)8-5-16-13-15-3-1-2-4-18(15)28-22(16)31/h1-4,6-7,14,16H,5,8-13H2,(H,27,30)(H,28,31)/t16-/m1/s1.

What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide has a molecular weight of 447.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is sourced from PubChem (CID 25333292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).