3-[1-[[8-methoxy-7-(oxolan-3-yloxy)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline

C24H26F3N5O3 — CID 166476455

IUPAC3-[1-[[8-methoxy-7-(oxolan-3-yloxy)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline
SMILESCOc1cc2c(cc1OC1CCOC1)/c(=N/C(C)c1cc(N)cc(C(F)(F)F)c1)nc1n2CCN1
InChIInChI=1S/C24H26F3N5O3/c1-13(14-7-15(24(25,26)27)9-16(28)8-14)30-22-18-10-21(35-17-3-6-34-12-17)20(33-2)11-19(18)32-5-4-29-23(32)31-22/h7-11,13,17H,3-6,12,28H2,1-2H3,(H,29,30,31)
InChIKeyXEVIUNAMTUVUFL-UHFFFAOYSA-N
MW489.50 g/mol
LogP3.90
Rot. Bonds5

About 3-[1-[[8-methoxy-7-(oxolan-3-yloxy)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline

3-[1-[[8-methoxy-7-(oxolan-3-yloxy)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline (PubChem CID 166476455) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is 3-[1-[[8-methoxy-7-(oxolan-3-yloxy)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-[1-[[8-methoxy-7-(oxolan-3-yloxy)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline
PubChem CID166476455
Molecular FormulaC24H26F3N5O3
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC Name3-[1-[[8-methoxy-7-(oxolan-3-yloxy)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline
SMILESCOc1cc2c(cc1OC1CCOC1)/c(=N/C(C)c1cc(N)cc(C(F)(F)F)c1)nc1n2CCN1
InChIInChI=1S/C24H26F3N5O3/c1-13(14-7-15(24(25,26)27)9-16(28)8-14)30-22-18-10-21(35-17-3-6-34-12-17)20(33-2)11-19(18)32-5-4-29-23(32)31-22/h7-11,13,17H,3-6,12,28H2,1-2H3,(H,29,30,31)
InChIKeyXEVIUNAMTUVUFL-UHFFFAOYSA-N
XLogP3.90
TPSA95.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[1-[[8-methoxy-7-(oxolan-3-yloxy)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[8-methoxy-7-(oxolan-3-yloxy)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 3-[1-[[8-methoxy-7-(oxolan-3-yloxy)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline (CID 166476455) is 3-[1-[[8-methoxy-7-(oxolan-3-yloxy)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-[1-[[8-methoxy-7-(oxolan-3-yloxy)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-[1-[[8-methoxy-7-(oxolan-3-yloxy)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline is COc1cc2c(cc1OC1CCOC1)/c(=N/C(C)c1cc(N)cc(C(F)(F)F)c1)nc1n2CCN1.
What is the InChIKey of 3-[1-[[8-methoxy-7-(oxolan-3-yloxy)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline?
The InChIKey is XEVIUNAMTUVUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3/c1-13(14-7-15(24(25,26)27)9-16(28)8-14)30-22-18-10-21(35-17-3-6-34-12-17)20(33-2)11-19(18)32-5-4-29-23(32)31-22/h7-11,13,17H,3-6,12,28H2,1-2H3,(H,29,30,31).
What are the key properties of 3-[1-[[8-methoxy-7-(oxolan-3-yloxy)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline?
3-[1-[[8-methoxy-7-(oxolan-3-yloxy)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline has a molecular weight of 489.50 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[8-methoxy-7-(oxolan-3-yloxy)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 166476455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).