6-[(4aR,7aR)-2-oxo-6-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-e][1,3]oxazin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C28H25N7O6 — CID 130320158

IUPAC6-[(4aR,7aR)-2-oxo-6-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-e][1,3]oxazin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(N3C[C@H]4CN(CCn5c(=O)ccc6ccc(Oc7cccnc7)nc65)C[C@@H]4OC3=O)nc2N1
InChIInChI=1S/C28H25N7O6/c36-23-16-39-20-5-6-22(30-26(20)31-23)35-14-18-13-33(15-21(18)41-28(35)38)10-11-34-25(37)8-4-17-3-7-24(32-27(17)34)40-19-2-1-9-29-12-19/h1-9,12,18,21H,10-11,13-16H2,(H,30,31,36)/t18-,21+/m1/s1
InChIKeyURQFAJKIDPUTSF-NQIIRXRSSA-N
MW555.55 g/mol
LogP2.27
Rot. Bonds6

About 6-[(4aR,7aR)-2-oxo-6-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-e][1,3]oxazin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[(4aR,7aR)-2-oxo-6-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-e][1,3]oxazin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 130320158) has the molecular formula C28H25N7O6 and a molecular weight of 555.55 g/mol. Its IUPAC name is 6-[(4aR,7aR)-2-oxo-6-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-e][1,3]oxazin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[(4aR,7aR)-2-oxo-6-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-e][1,3]oxazin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID130320158
Molecular FormulaC28H25N7O6
Molecular Weight555.55 g/mol
Exact Mass555.19
IUPAC Name6-[(4aR,7aR)-2-oxo-6-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-e][1,3]oxazin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(N3C[C@H]4CN(CCn5c(=O)ccc6ccc(Oc7cccnc7)nc65)C[C@@H]4OC3=O)nc2N1
InChIInChI=1S/C28H25N7O6/c36-23-16-39-20-5-6-22(30-26(20)31-23)35-14-18-13-33(15-21(18)41-28(35)38)10-11-34-25(37)8-4-17-3-7-24(32-27(17)34)40-19-2-1-9-29-12-19/h1-9,12,18,21H,10-11,13-16H2,(H,30,31,36)/t18-,21+/m1/s1
InChIKeyURQFAJKIDPUTSF-NQIIRXRSSA-N
XLogP2.27
TPSA141.01 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.55
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-[(4aR,7aR)-2-oxo-6-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-e][1,3]oxazin-3-yl]-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-[(4aR,7aR)-2-oxo-6-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-e][1,3]oxazin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[(4aR,7aR)-2-oxo-6-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-e][1,3]oxazin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 130320158) is 6-[(4aR,7aR)-2-oxo-6-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-e][1,3]oxazin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[(4aR,7aR)-2-oxo-6-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-e][1,3]oxazin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[(4aR,7aR)-2-oxo-6-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-e][1,3]oxazin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(N3C[C@H]4CN(CCn5c(=O)ccc6ccc(Oc7cccnc7)nc65)C[C@@H]4OC3=O)nc2N1.
What is the InChIKey of 6-[(4aR,7aR)-2-oxo-6-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-e][1,3]oxazin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is URQFAJKIDPUTSF-NQIIRXRSSA-N. The full InChI is InChI=1S/C28H25N7O6/c36-23-16-39-20-5-6-22(30-26(20)31-23)35-14-18-13-33(15-21(18)41-28(35)38)10-11-34-25(37)8-4-17-3-7-24(32-27(17)34)40-19-2-1-9-29-12-19/h1-9,12,18,21H,10-11,13-16H2,(H,30,31,36)/t18-,21+/m1/s1.
What are the key properties of 6-[(4aR,7aR)-2-oxo-6-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-e][1,3]oxazin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[(4aR,7aR)-2-oxo-6-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-e][1,3]oxazin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 555.55 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4aR,7aR)-2-oxo-6-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-e][1,3]oxazin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 130320158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).