N-methyl-N-(4-morpholin-4-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine

C20H19F3N4O — CID 172907377

IUPACN-methyl-N-(4-morpholin-4-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCN(c1ccc(N2CCOCC2)cc1)c1nc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C20H19F3N4O/c1-26(14-6-8-15(9-7-14)27-10-12-28-13-11-27)18-16-4-2-3-5-17(16)24-19(25-18)20(21,22)23/h2-9H,10-13H2,1H3
InChIKeyYZOIZDPSJLKZEQ-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.25
Rot. Bonds3

About N-methyl-N-(4-morpholin-4-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine

N-methyl-N-(4-morpholin-4-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 172907377) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is N-methyl-N-(4-morpholin-4-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(4-morpholin-4-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID172907377
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC NameN-methyl-N-(4-morpholin-4-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCN(c1ccc(N2CCOCC2)cc1)c1nc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C20H19F3N4O/c1-26(14-6-8-15(9-7-14)27-10-12-28-13-11-27)18-16-4-2-3-5-17(16)24-19(25-18)20(21,22)23/h2-9H,10-13H2,1H3
InChIKeyYZOIZDPSJLKZEQ-UHFFFAOYSA-N
XLogP4.25
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-morpholin-4-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-methyl-N-(4-morpholin-4-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine (CID 172907377) is N-methyl-N-(4-morpholin-4-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-methyl-N-(4-morpholin-4-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-methyl-N-(4-morpholin-4-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine is CN(c1ccc(N2CCOCC2)cc1)c1nc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of N-methyl-N-(4-morpholin-4-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is YZOIZDPSJLKZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-26(14-6-8-15(9-7-14)27-10-12-28-13-11-27)18-16-4-2-3-5-17(16)24-19(25-18)20(21,22)23/h2-9H,10-13H2,1H3.
What are the key properties of N-methyl-N-(4-morpholin-4-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine?
N-methyl-N-(4-morpholin-4-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 388.39 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-morpholin-4-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 172907377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).