7-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C19H19F3N4O2 — CID 167300326

IUPAC7-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2cc(Nc3ccc(N4CCC(C(F)(F)F)CC4)cc3)cnc2N1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)12-5-7-26(8-6-12)15-3-1-13(2-4-15)24-14-9-16-18(23-10-14)25-17(27)11-28-16/h1-4,9-10,12,24H,5-8,11H2,(H,23,25,27)
InChIKeyPWNNYZCSBACDET-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.93
Rot. Bonds3

About 7-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-4H-pyrido[3,2-b][1,4]oxazin-3-one

7-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 167300326) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 7-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID167300326
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name7-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2cc(Nc3ccc(N4CCC(C(F)(F)F)CC4)cc3)cnc2N1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)12-5-7-26(8-6-12)15-3-1-13(2-4-15)24-14-9-16-18(23-10-14)25-17(27)11-28-16/h1-4,9-10,12,24H,5-8,11H2,(H,23,25,27)
InChIKeyPWNNYZCSBACDET-UHFFFAOYSA-N
XLogP3.93
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
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

7-[4-(4-methylpiperidin-1-yl)anilino]-4H-1,4-benzoxazin-3-one
CID 167300314
7-[3-methoxy-4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-4H-1,4-benzoxazin-3-one
CID 167300460
N-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 166061952
4-methyl-7-[[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]-1,4-benzoxazin-3-one
CID 167300192
5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-2,3-dihydroisoindol-1-one
CID 167300425
2-methyl-6-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-benzoxazol-3-one
CID 167300444
1-methyl-N-[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]indazol-5-amine
CID 167300671
2-amino-N-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]benzamide
CID 167299959
1-methyl-6-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-3,4-dihydroquinolin-2-one
CID 167300242
2-oxo-N-[[3-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 168752895
tert-butyl 6-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]indazole-1-carboxylate
CID 171615105
6-[[5-fluoro-2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 53475727

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 167300326) is 7-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2cc(Nc3ccc(N4CCC(C(F)(F)F)CC4)cc3)cnc2N1.
What is the InChIKey of 7-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is PWNNYZCSBACDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c20-19(21,22)12-5-7-26(8-6-12)15-3-1-13(2-4-15)24-14-9-16-18(23-10-14)25-17(27)11-28-16/h1-4,9-10,12,24H,5-8,11H2,(H,23,25,27).
What are the key properties of 7-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
7-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 392.38 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 167300326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).