6-[1-[[6-(2,6-dimethylmorpholine-4-carbonyl)-4-fluoro-3-pyridinyl]amino]ethyl]-2,3-dimethyl-7-(trifluoromethyl)quinazolin-4-one

C25H27F4N5O3 — CID 178098001

IUPAC6-[1-[[6-(2,6-dimethylmorpholine-4-carbonyl)-4-fluoro-3-pyridinyl]amino]ethyl]-2,3-dimethyl-7-(trifluoromethyl)quinazolin-4-one
SMILESCc1nc2cc(C(F)(F)F)c(C(C)Nc3cnc(C(=O)N4CC(C)OC(C)C4)cc3F)cc2c(=O)n1C
InChIInChI=1S/C25H27F4N5O3/c1-12-10-34(11-13(2)37-12)24(36)21-8-19(26)22(9-30-21)31-14(3)16-6-17-20(7-18(16)25(27,28)29)32-15(4)33(5)23(17)35/h6-9,12-14,31H,10-11H2,1-5H3
InChIKeyFNUYMHBIZMHSHS-UHFFFAOYSA-N
MW521.52 g/mol
LogP4.22
Rot. Bonds4

About 6-[1-[[6-(2,6-dimethylmorpholine-4-carbonyl)-4-fluoro-3-pyridinyl]amino]ethyl]-2,3-dimethyl-7-(trifluoromethyl)quinazolin-4-one

6-[1-[[6-(2,6-dimethylmorpholine-4-carbonyl)-4-fluoro-3-pyridinyl]amino]ethyl]-2,3-dimethyl-7-(trifluoromethyl)quinazolin-4-one (PubChem CID 178098001) has the molecular formula C25H27F4N5O3 and a molecular weight of 521.52 g/mol. Its IUPAC name is 6-[1-[[6-(2,6-dimethylmorpholine-4-carbonyl)-4-fluoro-3-pyridinyl]amino]ethyl]-2,3-dimethyl-7-(trifluoromethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-[1-[[6-(2,6-dimethylmorpholine-4-carbonyl)-4-fluoro-3-pyridinyl]amino]ethyl]-2,3-dimethyl-7-(trifluoromethyl)quinazolin-4-one
PubChem CID178098001
Molecular FormulaC25H27F4N5O3
Molecular Weight521.52 g/mol
Exact Mass521.21
IUPAC Name6-[1-[[6-(2,6-dimethylmorpholine-4-carbonyl)-4-fluoro-3-pyridinyl]amino]ethyl]-2,3-dimethyl-7-(trifluoromethyl)quinazolin-4-one
SMILESCc1nc2cc(C(F)(F)F)c(C(C)Nc3cnc(C(=O)N4CC(C)OC(C)C4)cc3F)cc2c(=O)n1C
InChIInChI=1S/C25H27F4N5O3/c1-12-10-34(11-13(2)37-12)24(36)21-8-19(26)22(9-30-21)31-14(3)16-6-17-20(7-18(16)25(27,28)29)32-15(4)33(5)23(17)35/h6-9,12-14,31H,10-11H2,1-5H3
InChIKeyFNUYMHBIZMHSHS-UHFFFAOYSA-N
XLogP4.22
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[1-[[6-(2,6-dimethylmorpholine-4-carbonyl)-4-fluoro-3-pyridinyl]amino]ethyl]-2,3-dimethyl-7-(trifluoromethyl)quinazolin-4-one with MolForge

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Related Compounds

6-[(1S)-1-[[5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-fluoro-2-pyridinyl]amino]ethyl]-2,3-dimethyl-7-(trifluoromethyl)quinazolin-4-one
CID 178098117
6-[1-[[5-(2,6-dimethylmorpholine-4-carbonyl)pyrazin-2-yl]amino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097601
6-[(1R)-1-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-fluoroanilino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178098050
5-[[(1S)-1-[2,3-dimethyl-4-oxo-7-(trifluoromethyl)quinazolin-6-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 178097363
methyl 5-[[(1S)-1-[2,3-dimethyl-4-oxo-7-(trifluoromethyl)quinazolin-6-yl]ethyl]amino]pyridine-2-carboxylate
CID 178097351
methyl 5-[1-[2,3-dimethyl-4-oxo-7-(trifluoromethyl)quinazolin-6-yl]ethylamino]pyridine-2-carboxylate
CID 178097328
methyl 6-[[(1S)-1-[2,3-dimethyl-4-oxo-7-(trifluoromethyl)quinazolin-6-yl]ethyl]amino]-5-fluoropyridine-3-carboxylate
CID 178097317
6-[(1S)-1-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]ethyl]-2,3-dimethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
CID 178097101
6-[1-[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluoro-6-methoxyanilino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097079
6-[1-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]ethyl]-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-7-(trifluoromethyl)quinazolin-4-one
CID 178097057
6-[1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097298
6-[(1R)-1-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-fluoro-3-methoxyanilino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178098287

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[6-(2,6-dimethylmorpholine-4-carbonyl)-4-fluoro-3-pyridinyl]amino]ethyl]-2,3-dimethyl-7-(trifluoromethyl)quinazolin-4-one?
The IUPAC name of 6-[1-[[6-(2,6-dimethylmorpholine-4-carbonyl)-4-fluoro-3-pyridinyl]amino]ethyl]-2,3-dimethyl-7-(trifluoromethyl)quinazolin-4-one (CID 178098001) is 6-[1-[[6-(2,6-dimethylmorpholine-4-carbonyl)-4-fluoro-3-pyridinyl]amino]ethyl]-2,3-dimethyl-7-(trifluoromethyl)quinazolin-4-one.
What is the SMILES notation for 6-[1-[[6-(2,6-dimethylmorpholine-4-carbonyl)-4-fluoro-3-pyridinyl]amino]ethyl]-2,3-dimethyl-7-(trifluoromethyl)quinazolin-4-one?
The canonical SMILES for 6-[1-[[6-(2,6-dimethylmorpholine-4-carbonyl)-4-fluoro-3-pyridinyl]amino]ethyl]-2,3-dimethyl-7-(trifluoromethyl)quinazolin-4-one is Cc1nc2cc(C(F)(F)F)c(C(C)Nc3cnc(C(=O)N4CC(C)OC(C)C4)cc3F)cc2c(=O)n1C.
What is the InChIKey of 6-[1-[[6-(2,6-dimethylmorpholine-4-carbonyl)-4-fluoro-3-pyridinyl]amino]ethyl]-2,3-dimethyl-7-(trifluoromethyl)quinazolin-4-one?
The InChIKey is FNUYMHBIZMHSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F4N5O3/c1-12-10-34(11-13(2)37-12)24(36)21-8-19(26)22(9-30-21)31-14(3)16-6-17-20(7-18(16)25(27,28)29)32-15(4)33(5)23(17)35/h6-9,12-14,31H,10-11H2,1-5H3.
What are the key properties of 6-[1-[[6-(2,6-dimethylmorpholine-4-carbonyl)-4-fluoro-3-pyridinyl]amino]ethyl]-2,3-dimethyl-7-(trifluoromethyl)quinazolin-4-one?
6-[1-[[6-(2,6-dimethylmorpholine-4-carbonyl)-4-fluoro-3-pyridinyl]amino]ethyl]-2,3-dimethyl-7-(trifluoromethyl)quinazolin-4-one has a molecular weight of 521.52 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[6-(2,6-dimethylmorpholine-4-carbonyl)-4-fluoro-3-pyridinyl]amino]ethyl]-2,3-dimethyl-7-(trifluoromethyl)quinazolin-4-one is sourced from PubChem (CID 178098001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).