6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C25H26N6O6 — CID 130303384

IUPAC6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ccc(=O)n(CCN[C@H]3CC[C@H]4[C@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2n1
InChIInChI=1S/C25H26N6O6/c1-35-21-8-2-14-3-9-22(33)30(24(14)29-21)11-10-26-15-4-5-16-18(12-15)37-25(34)31(16)19-7-6-17-23(27-19)28-20(32)13-36-17/h2-3,6-9,15-16,18,26H,4-5,10-13H2,1H3,(H,27,28,32)/t15-,16-,18-/m0/s1
InChIKeyVGAOCRUUELSAOE-BQFCYCMXSA-N
MW506.52 g/mol
LogP1.67
Rot. Bonds6

About 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 130303384) has the molecular formula C25H26N6O6 and a molecular weight of 506.52 g/mol. Its IUPAC name is 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID130303384
Molecular FormulaC25H26N6O6
Molecular Weight506.52 g/mol
Exact Mass506.19
IUPAC Name6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ccc(=O)n(CCN[C@H]3CC[C@H]4[C@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2n1
InChIInChI=1S/C25H26N6O6/c1-35-21-8-2-14-3-9-22(33)30(24(14)29-21)11-10-26-15-4-5-16-18(12-15)37-25(34)31(16)19-7-6-17-23(27-19)28-20(32)13-36-17/h2-3,6-9,15-16,18,26H,4-5,10-13H2,1H3,(H,27,28,32)/t15-,16-,18-/m0/s1
InChIKeyVGAOCRUUELSAOE-BQFCYCMXSA-N
XLogP1.67
TPSA136.91 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.52
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Related Compounds

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-(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
1-[2-((3R,4R)-3-methoxy-4-{[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}piperidin-1-yl)ethyl]-2-oxo-1,2-dihydroquinoline-7-carbonitrile
CID 25008941
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 44593897
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 44594174
6-((2R,5R)-2-methyl-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 54592009
1-[2-[(3S,4R)-3-methoxy-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]-2-oxoquinoline-7-carbonitrile
CID 60201265
6-((2S,5R)-2-(methoxymethyl)-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 66996137
6-((2S,5R)-2-methyl-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 66996560
6-[(5S)-5-[3-[[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 67351739
6-[[[1-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71089192
1-[2-[[(3aS,6S,7aS)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]amino]ethyl]-2-oxoquinoline-7-carbonitrile
CID 130303380

Frequently Asked Questions

What is the IUPAC name of 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 130303384) is 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2ccc(=O)n(CCN[C@H]3CC[C@H]4[C@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2n1.
What is the InChIKey of 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is VGAOCRUUELSAOE-BQFCYCMXSA-N. The full InChI is InChI=1S/C25H26N6O6/c1-35-21-8-2-14-3-9-22(33)30(24(14)29-21)11-10-26-15-4-5-16-18(12-15)37-25(34)31(16)19-7-6-17-23(27-19)28-20(32)13-36-17/h2-3,6-9,15-16,18,26H,4-5,10-13H2,1H3,(H,27,28,32)/t15-,16-,18-/m0/s1.
What are the key properties of 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 506.52 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3aS,6S,7aS)-6-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 130303384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).