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

C25H30N6O4 — CID 46205343

IUPAC6-[[[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
SMILESCOc1ccc2ncc(=O)n(C[C@H](N)C3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1
InChIInChI=1S/C25H30N6O4/c1-34-18-7-8-20-21(10-18)31(24(33)12-28-20)13-19(26)15-2-4-16(5-3-15)27-11-17-6-9-22-25(29-17)30-23(32)14-35-22/h6-10,12,15-16,19,27H,2-5,11,13-14,26H2,1H3,(H,29,30,32)/t15?,16?,19-/m0/s1
InChIKeyMPDWAWJEOQCIIM-RJYAGPCLSA-N
MW478.55 g/mol
LogP1.81
Rot. Bonds7

About 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

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 (PubChem CID 46205343) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[[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
PubChem CID46205343
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Name6-[[[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
SMILESCOc1ccc2ncc(=O)n(C[C@H](N)C3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1
InChIInChI=1S/C25H30N6O4/c1-34-18-7-8-20-21(10-18)31(24(33)12-28-20)13-19(26)15-2-4-16(5-3-15)27-11-17-6-9-22-25(29-17)30-23(32)14-35-22/h6-10,12,15-16,19,27H,2-5,11,13-14,26H2,1H3,(H,29,30,32)/t15?,16?,19-/m0/s1
InChIKeyMPDWAWJEOQCIIM-RJYAGPCLSA-N
XLogP1.81
TPSA133.39 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2ncc(=O)n(C[C@H](N)C3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1.
What is the InChIKey of 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?
The InChIKey is MPDWAWJEOQCIIM-RJYAGPCLSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-34-18-7-8-20-21(10-18)31(24(33)12-28-20)13-19(26)15-2-4-16(5-3-15)27-11-17-6-9-22-25(29-17)30-23(32)14-35-22/h6-10,12,15-16,19,27H,2-5,11,13-14,26H2,1H3,(H,29,30,32)/t15?,16?,19-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 478.55 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46205343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).