4-methyl-7-[[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]-1,4-benzoxazin-3-one

C20H21F3N4O2 — CID 167300192

IUPAC4-methyl-7-[[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2cc(Nc3ccc(N4CCC(C(F)(F)F)CC4)nc3)ccc21
InChIInChI=1S/C20H21F3N4O2/c1-26-16-4-2-14(10-17(16)29-12-19(26)28)25-15-3-5-18(24-11-15)27-8-6-13(7-9-27)20(21,22)23/h2-5,10-11,13,25H,6-9,12H2,1H3
InChIKeyUVZSGOPGJJPVSH-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.96
Rot. Bonds3

About 4-methyl-7-[[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]-1,4-benzoxazin-3-one

4-methyl-7-[[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]-1,4-benzoxazin-3-one (PubChem CID 167300192) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is 4-methyl-7-[[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-methyl-7-[[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]-1,4-benzoxazin-3-one
PubChem CID167300192
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC Name4-methyl-7-[[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2cc(Nc3ccc(N4CCC(C(F)(F)F)CC4)nc3)ccc21
InChIInChI=1S/C20H21F3N4O2/c1-26-16-4-2-14(10-17(16)29-12-19(26)28)25-15-3-5-18(24-11-15)27-8-6-13(7-9-27)20(21,22)23/h2-5,10-11,13,25H,6-9,12H2,1H3
InChIKeyUVZSGOPGJJPVSH-UHFFFAOYSA-N
XLogP3.96
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-7-[[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]-1,4-benzoxazin-3-one with MolForge

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Related Compounds

7-[[2-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one
CID 167300301
7-[3-methoxy-4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-4H-1,4-benzoxazin-3-one
CID 167300460
7-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 167300326
1-methyl-6-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-3,4-dihydroquinolin-2-one
CID 167300242
4-methyl-6-[[5-methyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-1,4-benzoxazin-3-one
CID 59405589
7-[[3-(2-cyclopropylethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one
CID 122688076
7-[(4-fluorophenyl)methylamino]-4-methyl-1,4-benzoxazin-3-one
CID 24886668
7-[[3-(cyclopropylmethyl)-6-fluoroimidazo[4,5-b]pyridin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one
CID 118278526
7-[[3-(cyclopropylmethyl)-6-hydroxybenzimidazol-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one
CID 118278454
7-tert-butyl-4-methyl-1,4-benzoxazin-3-one
CID 59264598
7-[[5-bromo-4-(2-cyclopropylsulfonylanilino)pyrimidin-2-yl]amino]-4-methyl-1,4-benzoxazin-3-one
CID 172622670
2-methyl-6-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-benzoxazol-3-one
CID 167300444

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]-1,4-benzoxazin-3-one?
The IUPAC name of 4-methyl-7-[[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]-1,4-benzoxazin-3-one (CID 167300192) is 4-methyl-7-[[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-methyl-7-[[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-methyl-7-[[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]-1,4-benzoxazin-3-one is CN1C(=O)COc2cc(Nc3ccc(N4CCC(C(F)(F)F)CC4)nc3)ccc21.
What is the InChIKey of 4-methyl-7-[[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]-1,4-benzoxazin-3-one?
The InChIKey is UVZSGOPGJJPVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c1-26-16-4-2-14(10-17(16)29-12-19(26)28)25-15-3-5-18(24-11-15)27-8-6-13(7-9-27)20(21,22)23/h2-5,10-11,13,25H,6-9,12H2,1H3.
What are the key properties of 4-methyl-7-[[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]-1,4-benzoxazin-3-one?
4-methyl-7-[[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]-1,4-benzoxazin-3-one has a molecular weight of 406.41 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]-1,4-benzoxazin-3-one is sourced from PubChem (CID 167300192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).