6-[[[4-[(1R)-1-amino-2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C24H27FN6O3 — CID 46205674

IUPAC6-[[[4-[(1R)-1-amino-2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESN[C@@H](Cn1c(=O)cnc2ccc(F)cc21)C1CCC(NCc2ccc3c(n2)NC(=O)CO3)CC1
InChIInChI=1S/C24H27FN6O3/c25-15-3-7-19-20(9-15)31(23(33)11-28-19)12-18(26)14-1-4-16(5-2-14)27-10-17-6-8-21-24(29-17)30-22(32)13-34-21/h3,6-9,11,14,16,18,27H,1-2,4-5,10,12-13,26H2,(H,29,30,32)/t14?,16?,18-/m0/s1
InChIKeyUQBOMAVTFFNGLT-PVARCSIZSA-N
MW466.52 g/mol
LogP1.94
Rot. Bonds6

About 6-[[[4-[(1R)-1-amino-2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[4-[(1R)-1-amino-2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 46205674) has the molecular formula C24H27FN6O3 and a molecular weight of 466.52 g/mol. Its IUPAC name is 6-[[[4-[(1R)-1-amino-2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[4-[(1R)-1-amino-2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID46205674
Molecular FormulaC24H27FN6O3
Molecular Weight466.52 g/mol
Exact Mass466.21
IUPAC Name6-[[[4-[(1R)-1-amino-2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESN[C@@H](Cn1c(=O)cnc2ccc(F)cc21)C1CCC(NCc2ccc3c(n2)NC(=O)CO3)CC1
InChIInChI=1S/C24H27FN6O3/c25-15-3-7-19-20(9-15)31(23(33)11-28-19)12-18(26)14-1-4-16(5-2-14)27-10-17-6-8-21-24(29-17)30-22(32)13-34-21/h3,6-9,11,14,16,18,27H,1-2,4-5,10,12-13,26H2,(H,29,30,32)/t14?,16?,18-/m0/s1
InChIKeyUQBOMAVTFFNGLT-PVARCSIZSA-N
XLogP1.94
TPSA124.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[[[4-[(1R)-1-amino-2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[[4-[(1R)-1-amino-2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[4-[(1R)-1-amino-2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 46205674) is 6-[[[4-[(1R)-1-amino-2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[4-[(1R)-1-amino-2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[4-[(1R)-1-amino-2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is N[C@@H](Cn1c(=O)cnc2ccc(F)cc21)C1CCC(NCc2ccc3c(n2)NC(=O)CO3)CC1.
What is the InChIKey of 6-[[[4-[(1R)-1-amino-2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is UQBOMAVTFFNGLT-PVARCSIZSA-N. The full InChI is InChI=1S/C24H27FN6O3/c25-15-3-7-19-20(9-15)31(23(33)11-28-19)12-18(26)14-1-4-16(5-2-14)27-10-17-6-8-21-24(29-17)30-22(32)13-34-21/h3,6-9,11,14,16,18,27H,1-2,4-5,10,12-13,26H2,(H,29,30,32)/t14?,16?,18-/m0/s1.
What are the key properties of 6-[[[4-[(1R)-1-amino-2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[4-[(1R)-1-amino-2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 466.52 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[4-[(1R)-1-amino-2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 46205674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).