3-[(1R)-1-[[7-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline

C24H24F3N5O — CID 166476561

About 3-[(1R)-1-[[7-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline

3-[(1R)-1-[[7-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline (PubChem CID 166476561) has the molecular formula C24H24F3N5O and a molecular weight of 455.48 g/mol. Its IUPAC name is 3-[(1R)-1-[[7-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline.

Molecular Properties

• Compound Name: 3-[(1R)-1-[[7-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline
• PubChem CID: 166476561
• Molecular Formula: C24H24F3N5O
• Molecular Weight: 455.48 g/mol
• Exact Mass: 455.19
• IUPAC Name: 3-[(1R)-1-[[7-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline
• SMILES: C[C@@H](/N=c1\nc2n(c3ccc(C4=CCOCC4)cc13)CCN2)c1cc(N)cc(C(F)(F)F)c1
• InChI: InChI=1S/C24H24F3N5O/c1-14(17-10-18(24(25,26)27)13-19(28)11-17)30-22-20-12-16(15-4-8-33-9-5-15)2-3-21(20)32-7-6-29-23(32)31-22/h2-4,10-14H,5-9,28H2,1H3,(H,29,30,31)/t14-/m1/s1
• InChIKey: QSYHWMVMGNRCCO-CQSZACIVSA-N
• XLogP: 4.53
• TPSA: 77.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.48
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[[7-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline?

The IUPAC name of 3-[(1R)-1-[[7-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline (CID 166476561) is 3-[(1R)-1-[[7-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline.

What is the SMILES notation for 3-[(1R)-1-[[7-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline?

The canonical SMILES for 3-[(1R)-1-[[7-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline is C[C@@H](/N=c1\nc2n(c3ccc(C4=CCOCC4)cc13)CCN2)c1cc(N)cc(C(F)(F)F)c1.

What is the InChIKey of 3-[(1R)-1-[[7-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline?

The InChIKey is QSYHWMVMGNRCCO-CQSZACIVSA-N. The full InChI is InChI=1S/C24H24F3N5O/c1-14(17-10-18(24(25,26)27)13-19(28)11-17)30-22-20-12-16(15-4-8-33-9-5-15)2-3-21(20)32-7-6-29-23(32)31-22/h2-4,10-14H,5-9,28H2,1H3,(H,29,30,31)/t14-/m1/s1.

What are the key properties of 3-[(1R)-1-[[7-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline?

3-[(1R)-1-[[7-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline has a molecular weight of 455.48 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1R)-1-[[7-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 166476561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).