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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Related Compounds

methyl 4-[methyl-[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate
CID 172907338
1-N,1-N,4-N-trimethyl-4-N-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]benzene-1,4-diamine
CID 101022137
9-N,10-N-bis(4-morpholin-4-ylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 59133435
4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 8009259
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride
CID 2972487
8-[2-(trifluoromethyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 35416833
2-[4-(dimethylamino)phenyl]-2-phenyl-2-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]acetonitrile
CID 15883913
1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone
CID 67105711
2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 16955716
2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 80798383
4-(2-methylsulfanylquinazolin-4-yl)morpholine
CID 658307

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).