[3-[2-(7-methoxy-2-oxo-1,6-naphthyridin-1-yl)ethylamino]cyclohexyl] N-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate

C25H28N6O6 — CID 130336605

IUPAC[3-[2-(7-methoxy-2-oxo-1,6-naphthyridin-1-yl)ethylamino]cyclohexyl] N-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate
SMILESCOc1cc2c(ccc(=O)n2CCNC2CCCC(OC(=O)Nc3ccc4c(n3)NC(=O)CO4)C2)cn1
InChIInChI=1S/C25H28N6O6/c1-35-22-12-18-15(13-27-22)5-8-23(33)31(18)10-9-26-16-3-2-4-17(11-16)37-25(34)29-20-7-6-19-24(28-20)30-21(32)14-36-19/h5-8,12-13,16-17,26H,2-4,9-11,14H2,1H3,(H2,28,29,30,32,34)
InChIKeyZMDLGOREZWASJI-UHFFFAOYSA-N
MW508.54 g/mol
LogP2.28
Rot. Bonds7

About [3-[2-(7-methoxy-2-oxo-1,6-naphthyridin-1-yl)ethylamino]cyclohexyl] N-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate

[3-[2-(7-methoxy-2-oxo-1,6-naphthyridin-1-yl)ethylamino]cyclohexyl] N-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate (PubChem CID 130336605) has the molecular formula C25H28N6O6 and a molecular weight of 508.54 g/mol. Its IUPAC name is [3-[2-(7-methoxy-2-oxo-1,6-naphthyridin-1-yl)ethylamino]cyclohexyl] N-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate.

Molecular Properties

Compound Name[3-[2-(7-methoxy-2-oxo-1,6-naphthyridin-1-yl)ethylamino]cyclohexyl] N-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate
PubChem CID130336605
Molecular FormulaC25H28N6O6
Molecular Weight508.54 g/mol
Exact Mass508.21
IUPAC Name[3-[2-(7-methoxy-2-oxo-1,6-naphthyridin-1-yl)ethylamino]cyclohexyl] N-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate
SMILESCOc1cc2c(ccc(=O)n2CCNC2CCCC(OC(=O)Nc3ccc4c(n3)NC(=O)CO4)C2)cn1
InChIInChI=1S/C25H28N6O6/c1-35-22-12-18-15(13-27-22)5-8-23(33)31(18)10-9-26-16-3-2-4-17(11-16)37-25(34)29-20-7-6-19-24(28-20)30-21(32)14-36-19/h5-8,12-13,16-17,26H,2-4,9-11,14H2,1H3,(H2,28,29,30,32,34)
InChIKeyZMDLGOREZWASJI-UHFFFAOYSA-N
XLogP2.28
TPSA145.70 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.54
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [3-[2-(7-methoxy-2-oxo-1,6-naphthyridin-1-yl)ethylamino]cyclohexyl] N-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(7-methoxy-2-oxo-1,6-naphthyridin-1-yl)ethylamino]cyclohexyl] N-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate?
The IUPAC name of [3-[2-(7-methoxy-2-oxo-1,6-naphthyridin-1-yl)ethylamino]cyclohexyl] N-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate (CID 130336605) is [3-[2-(7-methoxy-2-oxo-1,6-naphthyridin-1-yl)ethylamino]cyclohexyl] N-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate.
What is the SMILES notation for [3-[2-(7-methoxy-2-oxo-1,6-naphthyridin-1-yl)ethylamino]cyclohexyl] N-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate?
The canonical SMILES for [3-[2-(7-methoxy-2-oxo-1,6-naphthyridin-1-yl)ethylamino]cyclohexyl] N-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate is COc1cc2c(ccc(=O)n2CCNC2CCCC(OC(=O)Nc3ccc4c(n3)NC(=O)CO4)C2)cn1.
What is the InChIKey of [3-[2-(7-methoxy-2-oxo-1,6-naphthyridin-1-yl)ethylamino]cyclohexyl] N-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate?
The InChIKey is ZMDLGOREZWASJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O6/c1-35-22-12-18-15(13-27-22)5-8-23(33)31(18)10-9-26-16-3-2-4-17(11-16)37-25(34)29-20-7-6-19-24(28-20)30-21(32)14-36-19/h5-8,12-13,16-17,26H,2-4,9-11,14H2,1H3,(H2,28,29,30,32,34).
What are the key properties of [3-[2-(7-methoxy-2-oxo-1,6-naphthyridin-1-yl)ethylamino]cyclohexyl] N-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate?
[3-[2-(7-methoxy-2-oxo-1,6-naphthyridin-1-yl)ethylamino]cyclohexyl] N-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate has a molecular weight of 508.54 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(7-methoxy-2-oxo-1,6-naphthyridin-1-yl)ethylamino]cyclohexyl] N-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate is sourced from PubChem (CID 130336605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).