6-[[[1-[2-[7-[(2-methylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C30H35N5O5 — CID 90363084

IUPAC6-[[[1-[2-[7-[(2-methylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1CC1COc1cnc2ccc(=O)n(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2c1
InChIInChI=1S/C30H35N5O5/c1-19-12-20(19)16-38-22-13-24-23(31-15-22)3-5-27(37)35(24)11-10-30-8-6-29(7-9-30,18-40-30)32-14-21-2-4-25-28(33-21)34-26(36)17-39-25/h2-5,13,15,19-20,32H,6-12,14,16-18H2,1H3,(H,33,34,36)
InChIKeyXXGQSGDEWAJCOL-UHFFFAOYSA-N
MW545.64 g/mol
LogP3.42
Rot. Bonds9

About 6-[[[1-[2-[7-[(2-methylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[1-[2-[7-[(2-methylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 90363084) has the molecular formula C30H35N5O5 and a molecular weight of 545.64 g/mol. Its IUPAC name is 6-[[[1-[2-[7-[(2-methylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[1-[2-[7-[(2-methylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID90363084
Molecular FormulaC30H35N5O5
Molecular Weight545.64 g/mol
Exact Mass545.26
IUPAC Name6-[[[1-[2-[7-[(2-methylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1CC1COc1cnc2ccc(=O)n(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2c1
InChIInChI=1S/C30H35N5O5/c1-19-12-20(19)16-38-22-13-24-23(31-15-22)3-5-27(37)35(24)11-10-30-8-6-29(7-9-30,18-40-30)32-14-21-2-4-25-28(33-21)34-26(36)17-39-25/h2-5,13,15,19-20,32H,6-12,14,16-18H2,1H3,(H,33,34,36)
InChIKeyXXGQSGDEWAJCOL-UHFFFAOYSA-N
XLogP3.42
TPSA116.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.64
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[[[1-[2-[7-[(2-methylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-[[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71152864
6-[[[1-[2-(5-methyl-2-oxo-1,6-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71153008
methyl 2-[[6-oxo-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[3.2.2]nonan-1-yl]ethyl]-1,5-naphthyridin-3-yl]oxymethyl]cyclopropane-1-carboxylate
CID 123190741
5-(2-hydroxyethyl)-6-oxo-4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridine-3-carbonitrile
CID 171357833
ethane;6-[[[1-[2-(3-hydroxy-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 144500237
6-[[[1-[2-(6-methoxy-3-methylsulfonyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 118735870
4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-propoxy-1,5-naphthyridine-3-carbonitrile
CID 90363059
6-[[[(3S,4R)-3-fluoro-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90644115
6-[[[1-[1-hydroxy-2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 90355492
but-2-enedioic acid;6-[[[(3S,4S)-4-hydroxy-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 68993659
6-[[[1-[2-[6-[(3-amino-4-oxoazetidin-2-yl)methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 78015452
6-[[[1-[2-[6-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 118736051

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-[7-[(2-methylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[1-[2-[7-[(2-methylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 90363084) is 6-[[[1-[2-[7-[(2-methylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[1-[2-[7-[(2-methylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[1-[2-[7-[(2-methylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is CC1CC1COc1cnc2ccc(=O)n(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2c1.
What is the InChIKey of 6-[[[1-[2-[7-[(2-methylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is XXGQSGDEWAJCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O5/c1-19-12-20(19)16-38-22-13-24-23(31-15-22)3-5-27(37)35(24)11-10-30-8-6-29(7-9-30,18-40-30)32-14-21-2-4-25-28(33-21)34-26(36)17-39-25/h2-5,13,15,19-20,32H,6-12,14,16-18H2,1H3,(H,33,34,36).
What are the key properties of 6-[[[1-[2-[7-[(2-methylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[1-[2-[7-[(2-methylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 545.64 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-[7-[(2-methylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 90363084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).