6-[[[1-[2-[3-oxo-6-(trifluoromethoxy)-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C24H26F3N5O5 — CID 15983680

IUPAC6-[[[1-[2-[3-oxo-6-(trifluoromethoxy)-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(OC(F)(F)F)cc54)CC3)nc2N1
InChIInChI=1S/C24H26F3N5O5/c25-24(26,27)37-17-2-4-19-18(11-17)32(22(34)14-36-19)10-9-31-7-5-15(6-8-31)28-12-16-1-3-20-23(29-16)30-21(33)13-35-20/h1-4,11,15,28H,5-10,12-14H2,(H,29,30,33)
InChIKeySJFWKKUVCFFLOM-UHFFFAOYSA-N
MW521.50 g/mol
LogP2.29
Rot. Bonds7

About 6-[[[1-[2-[3-oxo-6-(trifluoromethoxy)-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[1-[2-[3-oxo-6-(trifluoromethoxy)-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 15983680) has the molecular formula C24H26F3N5O5 and a molecular weight of 521.50 g/mol. Its IUPAC name is 6-[[[1-[2-[3-oxo-6-(trifluoromethoxy)-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[1-[2-[3-oxo-6-(trifluoromethoxy)-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID15983680
Molecular FormulaC24H26F3N5O5
Molecular Weight521.50 g/mol
Exact Mass521.19
IUPAC Name6-[[[1-[2-[3-oxo-6-(trifluoromethoxy)-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(OC(F)(F)F)cc54)CC3)nc2N1
InChIInChI=1S/C24H26F3N5O5/c25-24(26,27)37-17-2-4-19-18(11-17)32(22(34)14-36-19)10-9-31-7-5-15(6-8-31)28-12-16-1-3-20-23(29-16)30-21(33)13-35-20/h1-4,11,15,28H,5-10,12-14H2,(H,29,30,33)
InChIKeySJFWKKUVCFFLOM-UHFFFAOYSA-N
XLogP2.29
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.50
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[[1-[2-[3-oxo-6-(trifluoromethoxy)-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Related Compounds

6-[[[4-[(1R)-1-amino-2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 46205343
6-[({1-[2-(6-Nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15981891
6-{[(1-{2-[6-(Methylsulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethyl}piperidin-4-yl)amino]methyl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15982149
6-[({1-[2-(7-Methoxy-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15982151
6-[({1-[2-(7-Methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15982534
6-[[[1-[2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 15983430
6-[({1-[2-(6-Methoxy-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15983550
6-[({1-[2-(6-Fluoro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15983553
6-[({1-[2-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15983677
3-Oxo-4-[2-(4-{[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}piperidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile
CID 15983679
6-[({1-[2-(6-Bromo-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15983809
6-[({1-[2-(6-Hydroxy-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl)amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15983810

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-[3-oxo-6-(trifluoromethoxy)-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[1-[2-[3-oxo-6-(trifluoromethoxy)-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 15983680) is 6-[[[1-[2-[3-oxo-6-(trifluoromethoxy)-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[1-[2-[3-oxo-6-(trifluoromethoxy)-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[1-[2-[3-oxo-6-(trifluoromethoxy)-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(OC(F)(F)F)cc54)CC3)nc2N1.
What is the InChIKey of 6-[[[1-[2-[3-oxo-6-(trifluoromethoxy)-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is SJFWKKUVCFFLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O5/c25-24(26,27)37-17-2-4-19-18(11-17)32(22(34)14-36-19)10-9-31-7-5-15(6-8-31)28-12-16-1-3-20-23(29-16)30-21(33)13-35-20/h1-4,11,15,28H,5-10,12-14H2,(H,29,30,33).
What are the key properties of 6-[[[1-[2-[3-oxo-6-(trifluoromethoxy)-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[1-[2-[3-oxo-6-(trifluoromethoxy)-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 521.50 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-[3-oxo-6-(trifluoromethoxy)-1,4-benzoxazin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 15983680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).