1,3-benzoxazin-4-one;pyrano[2,3-b]pyrazin-8-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one;pyrano[2,3-d]pyrimidin-5-one;pyrido[3,2-e][1,3]oxazin-4-one

C68H41N13O18 — CID 157464442

IUPAC1,3-benzoxazin-4-one;pyrano[2,3-b]pyrazin-8-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one;pyrano[2,3-d]pyrimidin-5-one;pyrido[3,2-e][1,3]oxazin-4-one
SMILESO=c1ccoc2cccnc12.O=c1ccoc2ccncc12.O=c1ccoc2cnccc12.O=c1ccoc2ncccc12.O=c1ccoc2nccnc12.O=c1ccoc2ncncc12.O=c1ccoc2nnccc12.O=c1ncoc2ccccc12.O=c1ncoc2ncccc12
InChIInChI=1S/5C8H5NO2.4C7H4N2O2/c10-7-2-4-11-8-1-3-9-5-6(7)8;10-7-2-4-11-8-5-9-3-1-6(7)8;10-6-3-5-11-7-2-1-4-9-8(6)7;10-7-3-5-11-8-6(7)2-1-4-9-8;10-8-6-3-1-2-4-7(6)11-5-9-8;10-5-1-4-11-7-6(5)8-2-3-9-7;10-6-2-4-11-7-5(6)1-3-8-9-7;10-6-1-2-11-7-5(6)3-8-4-9-7;10-6-5-2-1-3-8-7(5)11-4-9-6/h5*1-5H;4*1-4H
InChIKeyBUHOJCDATRYHSZ-UHFFFAOYSA-N
MW1328.15 g/mol
LogP8.27
Rot. Bonds

About 1,3-benzoxazin-4-one;pyrano[2,3-b]pyrazin-8-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one;pyrano[2,3-d]pyrimidin-5-one;pyrido[3,2-e][1,3]oxazin-4-one

1,3-benzoxazin-4-one;pyrano[2,3-b]pyrazin-8-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one;pyrano[2,3-d]pyrimidin-5-one;pyrido[3,2-e][1,3]oxazin-4-one (PubChem CID 157464442) has the molecular formula C68H41N13O18 and a molecular weight of 1328.15 g/mol. Its IUPAC name is 1,3-benzoxazin-4-one;pyrano[2,3-b]pyrazin-8-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one;pyrano[2,3-d]pyrimidin-5-one;pyrido[3,2-e][1,3]oxazin-4-one.

Molecular Properties

Compound Name1,3-benzoxazin-4-one;pyrano[2,3-b]pyrazin-8-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one;pyrano[2,3-d]pyrimidin-5-one;pyrido[3,2-e][1,3]oxazin-4-one
PubChem CID157464442
Molecular FormulaC68H41N13O18
Molecular Weight1328.15 g/mol
Exact Mass1327.27
IUPAC Name1,3-benzoxazin-4-one;pyrano[2,3-b]pyrazin-8-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one;pyrano[2,3-d]pyrimidin-5-one;pyrido[3,2-e][1,3]oxazin-4-one
SMILESO=c1ccoc2cccnc12.O=c1ccoc2ccncc12.O=c1ccoc2cnccc12.O=c1ccoc2ncccc12.O=c1ccoc2nccnc12.O=c1ccoc2ncncc12.O=c1ccoc2nnccc12.O=c1ncoc2ccccc12.O=c1ncoc2ncccc12
InChIInChI=1S/5C8H5NO2.4C7H4N2O2/c10-7-2-4-11-8-1-3-9-5-6(7)8;10-7-2-4-11-8-5-9-3-1-6(7)8;10-6-3-5-11-7-2-1-4-9-8(6)7;10-7-3-5-11-8-6(7)2-1-4-9-8;10-8-6-3-1-2-4-7(6)11-5-9-8;10-5-1-4-11-7-6(5)8-2-3-9-7;10-6-2-4-11-7-5(6)1-3-8-9-7;10-6-1-2-11-7-5(6)3-8-4-9-7;10-6-5-2-1-3-8-7(5)11-4-9-6/h5*1-5H;4*1-4H
InChIKeyBUHOJCDATRYHSZ-UHFFFAOYSA-N
XLogP8.27
TPSA439.46 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001328.15
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 1,3-benzoxazin-4-one;pyrano[2,3-b]pyrazin-8-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one;pyrano[2,3-d]pyrimidin-5-one;pyrido[3,2-e][1,3]oxazin-4-one with MolForge

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Launch Full Analysis

Related Compounds

1-(3-Fluorophenyl)-4-pyrazin-2-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(2-methoxyphenyl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-methoxyphenyl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;tris(1-(2-methylphenyl)-4-pyrimidin-2-ylbutane-1,4-dione);1-(4-methylphenyl)-4-pyrimidin-2-ylbutane-1,4-dione
CID 158242648
2-[4-[4-[(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]piperidin-1-yl]pyrimidin-5-yl]oxy-5-fluoro-N-(1-methylpyrazol-4-yl)-N-propan-2-ylbenzamide
CID 176923571
2-Cyclobutyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123491909
2-Cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methylpyrazin-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 124033081
1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one
CID 157112565
3,6-Di(propan-2-yl)chromene-2,4-dione;2,7-di(propan-2-yl)pyrano[2,3-b]pyrazine-6,8-dione;3,6-di(propan-2-yl)pyrano[2,3-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[3,2-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridine-2,4-dione;2,7-di(propan-2-yl)pyrano[3,2-d]pyrimidine-6,8-dione;3,6-di(propan-2-yl)pyridazino[4,3-e][1,3]oxazine-5,7-dione
CID 157717443
Methane;pyrano[2,3-b]pyrazin-8-one;pyrano[3,2-c]pyridazin-8-one;pyrano[3,2-d]pyrimidin-8-one;pyrano[3,2-e][1,2,4]triazin-5-one;pyrazino[2,3-e][1,3]oxazin-4-one;pyridazino[4,3-e][1,3]oxazin-5-one;pyrido[2,3-e][1,3]oxazin-4-one;pyrido[4,3-e][1,3]oxazin-4-one;pyrimido[4,5-e][1,3]oxazin-4-one
CID 157798628
Pyrano[2,3-b]pyrazin-8-one;pyrano[3,2-c]pyridazin-8-one;pyrano[2,3-d]pyrimidin-5-one;pyrano[3,2-d]pyrimidin-8-one;pyrido[3,2-e][1,3]oxazin-4-one;pyrido[4,3-e][1,3]oxazin-4-one
CID 157887262
4,6-Dimethylpyrano[3,2-c]pyridazin-8-one;4,7-dimethylpyrano[2,3-d]pyrimidin-5-one;4,7-dimethylpyrano[3,2-d]pyrimidin-8-one;5,7-dimethylpyrido[3,2-e][1,3]oxazin-4-one;5,8-dimethylpyrido[4,3-e][1,3]oxazin-4-one;7,8-dimethylpyrido[2,3-e][1,3]oxazin-4-one;6-methylpyrano[3,2-e][1,2,4]triazin-5-one;4-methylpyridazino[4,3-e][1,3]oxazin-5-one
CID 158107955
1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(2-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-6-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one
CID 158119568
2-Cyclobutyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-cyclopentyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 158328948
1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one
CID 158489978

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazin-4-one;pyrano[2,3-b]pyrazin-8-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one;pyrano[2,3-d]pyrimidin-5-one;pyrido[3,2-e][1,3]oxazin-4-one?
The IUPAC name of 1,3-benzoxazin-4-one;pyrano[2,3-b]pyrazin-8-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one;pyrano[2,3-d]pyrimidin-5-one;pyrido[3,2-e][1,3]oxazin-4-one (CID 157464442) is 1,3-benzoxazin-4-one;pyrano[2,3-b]pyrazin-8-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one;pyrano[2,3-d]pyrimidin-5-one;pyrido[3,2-e][1,3]oxazin-4-one.
What is the SMILES notation for 1,3-benzoxazin-4-one;pyrano[2,3-b]pyrazin-8-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one;pyrano[2,3-d]pyrimidin-5-one;pyrido[3,2-e][1,3]oxazin-4-one?
The canonical SMILES for 1,3-benzoxazin-4-one;pyrano[2,3-b]pyrazin-8-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one;pyrano[2,3-d]pyrimidin-5-one;pyrido[3,2-e][1,3]oxazin-4-one is O=c1ccoc2cccnc12.O=c1ccoc2ccncc12.O=c1ccoc2cnccc12.O=c1ccoc2ncccc12.O=c1ccoc2nccnc12.O=c1ccoc2ncncc12.O=c1ccoc2nnccc12.O=c1ncoc2ccccc12.O=c1ncoc2ncccc12.
What is the InChIKey of 1,3-benzoxazin-4-one;pyrano[2,3-b]pyrazin-8-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one;pyrano[2,3-d]pyrimidin-5-one;pyrido[3,2-e][1,3]oxazin-4-one?
The InChIKey is BUHOJCDATRYHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C8H5NO2.4C7H4N2O2/c10-7-2-4-11-8-1-3-9-5-6(7)8;10-7-2-4-11-8-5-9-3-1-6(7)8;10-6-3-5-11-7-2-1-4-9-8(6)7;10-7-3-5-11-8-6(7)2-1-4-9-8;10-8-6-3-1-2-4-7(6)11-5-9-8;10-5-1-4-11-7-6(5)8-2-3-9-7;10-6-2-4-11-7-5(6)1-3-8-9-7;10-6-1-2-11-7-5(6)3-8-4-9-7;10-6-5-2-1-3-8-7(5)11-4-9-6/h5*1-5H;4*1-4H.
What are the key properties of 1,3-benzoxazin-4-one;pyrano[2,3-b]pyrazin-8-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one;pyrano[2,3-d]pyrimidin-5-one;pyrido[3,2-e][1,3]oxazin-4-one?
1,3-benzoxazin-4-one;pyrano[2,3-b]pyrazin-8-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one;pyrano[2,3-d]pyrimidin-5-one;pyrido[3,2-e][1,3]oxazin-4-one has a molecular weight of 1328.15 g/mol, XLogP of 8.27, 0 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazin-4-one;pyrano[2,3-b]pyrazin-8-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one;pyrano[2,3-d]pyrimidin-5-one;pyrido[3,2-e][1,3]oxazin-4-one is sourced from PubChem (CID 157464442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).