4-(2-methoxyethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one

C18H16F3N3O2 — CID 150809357

IUPAC4-(2-methoxyethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESCOCCNc1nc(=O)n(-c2ccccc2)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C18H16F3N3O2/c1-26-10-9-22-16-14-8-7-12(18(19,20)21)11-15(14)24(17(25)23-16)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,22,23,25)
InChIKeyKHOJFNLZDMYDQQ-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.46
Rot. Bonds5

About 4-(2-methoxyethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one

4-(2-methoxyethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (PubChem CID 150809357) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.

Molecular Properties

Compound Name4-(2-methoxyethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
PubChem CID150809357
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name4-(2-methoxyethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESCOCCNc1nc(=O)n(-c2ccccc2)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C18H16F3N3O2/c1-26-10-9-22-16-14-8-7-12(18(19,20)21)11-15(14)24(17(25)23-16)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,22,23,25)
InChIKeyKHOJFNLZDMYDQQ-UHFFFAOYSA-N
XLogP3.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-((2-oxo-1-(o-tolyl)-7-(trifluoromethyl)-1,2-dihydroquinazolin-4-yl)amino)ethane-1-sulfonamide
CID 146714109
4-Amino-1-phenyl-7-(trifluoromethyl)-hydroquinazolin-2-one
CID 146721284
4-(Methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)hydroquinazolin-2-one
CID 146970364
Amino(2-{[1-(2-methylphenyl)-2-oxo-7-(trifluoromethyl)hydroquinazolin-4-yl]-amino}ethyl)sulfonamide
CID 146976377
4-((3R)-3-hydroxypyrrolidinyl)-1-phenyl-7-(trifluoromethyl)hydro-quinazolin-2-one
CID 147508681
(S)-4-(3-(hydroxymethyl)pyrrolidin-1-yl)-1-(o-tolyl)-7-(trifluoromethyl)-quinazolin-2(1H)-one
CID 147577525
N-cyclopropyl-2-((2-oxo-1-(o-tolyl)-7-(trifluoromethyl)-1,2-dihydroquinazolin-4-yl)amino)ethane-1-sulfonamide
CID 148115080
1-Phenyl-4-[(2,2,2-trifluoroethyl)amino]-7-(trifluoromethyphydroquinazolin-2-one
CID 148228893
3[4-(Methylamino)-2-oxo-7-(trifluoro-methyl)hydroquinazolinyl]benzene-carbonitrile
CID 148743987
(R)-4-(2-(hydroxymethyl)azetidin-1-yl)-1-(o-tolyl)-7-(trifluoromethyl)-quinazolin-2(1H)-one
CID 148973805
4-((3R)-3-hydroxypyrrolidin-1-yl)-1-(2-methylphenyl)-7-(trifluoromethyl)hydro-quinazolin-2-one
CID 149315513
N,N-dimethyl-2-((2-oxo-1-(o-tolyl)-7-(trifluoromethyl)-1,2-dihydroquinazolin-4-yl)amino)ethane-1-sulfonamide
CID 149401402

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The IUPAC name of 4-(2-methoxyethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (CID 150809357) is 4-(2-methoxyethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.
What is the SMILES notation for 4-(2-methoxyethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The canonical SMILES for 4-(2-methoxyethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is COCCNc1nc(=O)n(-c2ccccc2)c2cc(C(F)(F)F)ccc12.
What is the InChIKey of 4-(2-methoxyethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The InChIKey is KHOJFNLZDMYDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-26-10-9-22-16-14-8-7-12(18(19,20)21)11-15(14)24(17(25)23-16)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,22,23,25).
What are the key properties of 4-(2-methoxyethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
4-(2-methoxyethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one has a molecular weight of 363.34 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is sourced from PubChem (CID 150809357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).