2-[[[4-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one

C23H26N6O4 — CID 45378113

IUPAC2-[[[4-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
SMILESCn1c(=O)ccc2nccc(OCC3CCC(NCc4ncc5c(n4)NC(=O)CO5)CC3)c21
InChIInChI=1S/C23H26N6O4/c1-29-21(31)7-6-16-22(29)17(8-9-24-16)32-12-14-2-4-15(5-3-14)25-11-19-26-10-18-23(27-19)28-20(30)13-33-18/h6-10,14-15,25H,2-5,11-13H2,1H3,(H,26,27,28,30)
InChIKeyCOVCTNDLXYCYBH-UHFFFAOYSA-N
MW450.50 g/mol
LogP1.78
Rot. Bonds6

About 2-[[[4-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one

2-[[[4-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one (PubChem CID 45378113) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-[[[4-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one.

Molecular Properties

Compound Name2-[[[4-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
PubChem CID45378113
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC Name2-[[[4-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
SMILESCn1c(=O)ccc2nccc(OCC3CCC(NCc4ncc5c(n4)NC(=O)CO5)CC3)c21
InChIInChI=1S/C23H26N6O4/c1-29-21(31)7-6-16-22(29)17(8-9-24-16)32-12-14-2-4-15(5-3-14)25-11-19-26-10-18-23(27-19)28-20(30)13-33-18/h6-10,14-15,25H,2-5,11-13H2,1H3,(H,26,27,28,30)
InChIKeyCOVCTNDLXYCYBH-UHFFFAOYSA-N
XLogP1.78
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[[4-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one with MolForge

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Related Compounds

2-[[[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 67010777
7-fluoro-1-methyl-8-[[4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one;hydrochloride
CID 45377808
6-[3-[4-[(1-methyl-2-oxopyrido[2,3-b]pyrazin-8-yl)oxymethyl]cyclohexyl]pentyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 91184349
2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 57250075
6-[(5S)-5-[[2-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 142601110
6-[[[(3R)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 143608556
6-[[[(3S,4S)-1-[2-(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
CID 68508078
7-chloro-6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-methoxy-1-propyl-1,5-naphthyridin-2-one
CID 143612671
7-fluoro-1-methyl-8-[[4-[[3-(methylamino)-4-propan-2-ylphenyl]methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one
CID 143979644
6-[[[1-[(5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
CID 131739478
6-[[[1-[(5-fluoro-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 24856532
7-chloro-6-[[[1-[[(3R)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 24872731

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The IUPAC name of 2-[[[4-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one (CID 45378113) is 2-[[[4-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one.
What is the SMILES notation for 2-[[[4-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The canonical SMILES for 2-[[[4-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one is Cn1c(=O)ccc2nccc(OCC3CCC(NCc4ncc5c(n4)NC(=O)CO5)CC3)c21.
What is the InChIKey of 2-[[[4-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The InChIKey is COVCTNDLXYCYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-29-21(31)7-6-16-22(29)17(8-9-24-16)32-12-14-2-4-15(5-3-14)25-11-19-26-10-18-23(27-19)28-20(30)13-33-18/h6-10,14-15,25H,2-5,11-13H2,1H3,(H,26,27,28,30).
What are the key properties of 2-[[[4-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
2-[[[4-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one has a molecular weight of 450.50 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one is sourced from PubChem (CID 45378113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).