8-acetyl-3-methyl-2-morpholin-4-yl-6-(trifluoromethyl)quinazolin-4-one

C16H16F3N3O3 — CID 170754045

IUPAC8-acetyl-3-methyl-2-morpholin-4-yl-6-(trifluoromethyl)quinazolin-4-one
SMILESCC(=O)c1cc(C(F)(F)F)cc2c(=O)n(C)c(N3CCOCC3)nc12
InChIInChI=1S/C16H16F3N3O3/c1-9(23)11-7-10(16(17,18)19)8-12-13(11)20-15(21(2)14(12)24)22-3-5-25-6-4-22/h7-8H,3-6H2,1-2H3
InChIKeyTYHHTWQKHHOAPO-UHFFFAOYSA-N
MW355.32 g/mol
LogP1.99
Rot. Bonds2

About 8-acetyl-3-methyl-2-morpholin-4-yl-6-(trifluoromethyl)quinazolin-4-one

8-acetyl-3-methyl-2-morpholin-4-yl-6-(trifluoromethyl)quinazolin-4-one (PubChem CID 170754045) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is 8-acetyl-3-methyl-2-morpholin-4-yl-6-(trifluoromethyl)quinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-3-methyl-2-morpholin-4-yl-6-(trifluoromethyl)quinazolin-4-one
PubChem CID170754045
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Name8-acetyl-3-methyl-2-morpholin-4-yl-6-(trifluoromethyl)quinazolin-4-one
SMILESCC(=O)c1cc(C(F)(F)F)cc2c(=O)n(C)c(N3CCOCC3)nc12
InChIInChI=1S/C16H16F3N3O3/c1-9(23)11-7-10(16(17,18)19)8-12-13(11)20-15(21(2)14(12)24)22-3-5-25-6-4-22/h7-8H,3-6H2,1-2H3
InChIKeyTYHHTWQKHHOAPO-UHFFFAOYSA-N
XLogP1.99
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl-[1-[3-methyl-2-morpholin-4-yl-4-oxo-6-(trifluoromethyl)quinazolin-8-yl]ethylideneamino]-oxidosulfanium
CID 175998959
8-acetyl-3-methyl-2-morpholin-4-ylquinazolin-4-one
CID 170753477
8-acetyl-5-chloro-3-methyl-2-morpholin-4-ylquinazolin-4-one
CID 170753431
8-acetyl-6-methyl-2-morpholin-4-yl-3-(oxolan-3-ylmethyl)quinazolin-4-one
CID 170753453
8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde
CID 170753519
CID 169212568
CID 169212568
(1S,5R)-3-(8-acetyl-3,6-dimethyl-4-oxoquinazolin-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 170170391
8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170754048
8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753277
8-acetyl-2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-methoxy-3-methylquinazolin-4-one
CID 169212560
8-acetyl-2-(4,4-difluoropiperidin-1-yl)-3,6,7-trimethylquinazolin-4-one
CID 169155220
2-[1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]-4-fluorobenzoic acid
CID 170753603

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-3-methyl-2-morpholin-4-yl-6-(trifluoromethyl)quinazolin-4-one?
The IUPAC name of 8-acetyl-3-methyl-2-morpholin-4-yl-6-(trifluoromethyl)quinazolin-4-one (CID 170754045) is 8-acetyl-3-methyl-2-morpholin-4-yl-6-(trifluoromethyl)quinazolin-4-one.
What is the SMILES notation for 8-acetyl-3-methyl-2-morpholin-4-yl-6-(trifluoromethyl)quinazolin-4-one?
The canonical SMILES for 8-acetyl-3-methyl-2-morpholin-4-yl-6-(trifluoromethyl)quinazolin-4-one is CC(=O)c1cc(C(F)(F)F)cc2c(=O)n(C)c(N3CCOCC3)nc12.
What is the InChIKey of 8-acetyl-3-methyl-2-morpholin-4-yl-6-(trifluoromethyl)quinazolin-4-one?
The InChIKey is TYHHTWQKHHOAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-9(23)11-7-10(16(17,18)19)8-12-13(11)20-15(21(2)14(12)24)22-3-5-25-6-4-22/h7-8H,3-6H2,1-2H3.
What are the key properties of 8-acetyl-3-methyl-2-morpholin-4-yl-6-(trifluoromethyl)quinazolin-4-one?
8-acetyl-3-methyl-2-morpholin-4-yl-6-(trifluoromethyl)quinazolin-4-one has a molecular weight of 355.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-3-methyl-2-morpholin-4-yl-6-(trifluoromethyl)quinazolin-4-one is sourced from PubChem (CID 170754045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).