[4-[[8-methoxy-5-(trifluoromethyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

C21H19F3N4O3 — CID 59199278

IUPAC[4-[[8-methoxy-5-(trifluoromethyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C(F)(F)F)c2cnc(Nc3ccc(C(=O)N4CCOCC4)cc3)nc12
InChIInChI=1S/C21H19F3N4O3/c1-30-17-7-6-16(21(22,23)24)15-12-25-20(27-18(15)17)26-14-4-2-13(3-5-14)19(29)28-8-10-31-11-9-28/h2-7,12H,8-11H2,1H3,(H,25,26,27)
InChIKeyJXFJURMQQTYROS-UHFFFAOYSA-N
MW432.40 g/mol
LogP3.87
Rot. Bonds4

About [4-[[8-methoxy-5-(trifluoromethyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

[4-[[8-methoxy-5-(trifluoromethyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 59199278) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is [4-[[8-methoxy-5-(trifluoromethyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[8-methoxy-5-(trifluoromethyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
PubChem CID59199278
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC Name[4-[[8-methoxy-5-(trifluoromethyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C(F)(F)F)c2cnc(Nc3ccc(C(=O)N4CCOCC4)cc3)nc12
InChIInChI=1S/C21H19F3N4O3/c1-30-17-7-6-16(21(22,23)24)15-12-25-20(27-18(15)17)26-14-4-2-13(3-5-14)19(29)28-8-10-31-11-9-28/h2-7,12H,8-11H2,1H3,(H,25,26,27)
InChIKeyJXFJURMQQTYROS-UHFFFAOYSA-N
XLogP3.87
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[[8-methoxy-5-(trifluoromethyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone 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 [4-[[8-methoxy-5-(trifluoromethyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[8-methoxy-5-(trifluoromethyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (CID 59199278) is [4-[[8-methoxy-5-(trifluoromethyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[8-methoxy-5-(trifluoromethyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[8-methoxy-5-(trifluoromethyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is COc1ccc(C(F)(F)F)c2cnc(Nc3ccc(C(=O)N4CCOCC4)cc3)nc12.
What is the InChIKey of [4-[[8-methoxy-5-(trifluoromethyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is JXFJURMQQTYROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c1-30-17-7-6-16(21(22,23)24)15-12-25-20(27-18(15)17)26-14-4-2-13(3-5-14)19(29)28-8-10-31-11-9-28/h2-7,12H,8-11H2,1H3,(H,25,26,27).
What are the key properties of [4-[[8-methoxy-5-(trifluoromethyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
[4-[[8-methoxy-5-(trifluoromethyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 432.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[8-methoxy-5-(trifluoromethyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 59199278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).