2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-3-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one

C162H84N20O34S2 — CID 157277033

IUPAC2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-3-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2c[nH]c(-c3nc4ccccc4c(=O)o3)c2)nc2ccccc12.O=c1oc(-c2ccc(-c3nc4ccccc4c(=O)o3)[nH]2)nc2ccccc12.O=c1oc(-c2ccc(-c3nc4ccccc4c(=O)o3)nc2)nc2ccccc12.O=c1oc(-c2ccc(-c3nc4ccccc4c(=O)o3)o2)nc2ccccc12.O=c1oc(-c2ccc(-c3nc4ccccc4c(=O)o3)s2)nc2ccccc12.O=c1oc(-c2cccc(-c3nc4ccccc4c(=O)o3)n2)nc2ccccc12.O=c1oc(-c2coc(-c3nc4ccccc4c(=O)o3)c2)nc2ccccc12.O=c1oc(-c2csc(-c3nc4ccccc4c(=O)o3)c2)nc2ccccc12
InChIInChI=1S/2C21H11N3O4.2C20H11N3O4.2C20H10N2O5.2C20H10N2O4S/c25-20-12-6-1-3-8-14(12)23-18(27-20)16-10-5-11-17(22-16)19-24-15-9-4-2-7-13(15)21(26)28-19;25-20-13-5-1-3-7-15(13)23-18(27-20)12-9-10-17(22-11-12)19-24-16-8-4-2-6-14(16)21(26)28-19;24-19-12-5-1-3-7-14(12)22-17(26-19)11-9-16(21-10-11)18-23-15-8-4-2-6-13(15)20(25)27-18;24-19-11-5-1-3-7-13(11)22-17(26-19)15-9-10-16(21-15)18-23-14-8-4-2-6-12(14)20(25)27-18;23-19-12-5-1-3-7-14(12)21-17(26-19)11-9-16(25-10-11)18-22-15-8-4-2-6-13(15)20(24)27-18;23-19-11-5-1-3-7-13(11)21-17(26-19)15-9-10-16(25-15)18-22-14-8-4-2-6-12(14)20(24)27-18;23-19-12-5-1-3-7-14(12)21-17(25-19)11-9-16(27-10-11)18-22-15-8-4-2-6-13(15)20(24)26-18;23-19-11-5-1-3-7-13(11)21-17(25-19)15-9-10-16(27-15)18-22-14-8-4-2-6-12(14)20(24)26-18/h2*1-11H;2*1-10,21H;4*1-10H
InChIKeyAZFMZDZFRGKKMZ-UHFFFAOYSA-N
MW2918.69 g/mol
LogP28.94
Rot. Bonds16

About 2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-3-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one

2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-3-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one (PubChem CID 157277033) has the molecular formula C162H84N20O34S2 and a molecular weight of 2918.69 g/mol. Its IUPAC name is 2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-3-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-3-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one
PubChem CID157277033
Molecular FormulaC162H84N20O34S2
Molecular Weight2918.69 g/mol
Exact Mass2916.49
IUPAC Name2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-3-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2c[nH]c(-c3nc4ccccc4c(=O)o3)c2)nc2ccccc12.O=c1oc(-c2ccc(-c3nc4ccccc4c(=O)o3)[nH]2)nc2ccccc12.O=c1oc(-c2ccc(-c3nc4ccccc4c(=O)o3)nc2)nc2ccccc12.O=c1oc(-c2ccc(-c3nc4ccccc4c(=O)o3)o2)nc2ccccc12.O=c1oc(-c2ccc(-c3nc4ccccc4c(=O)o3)s2)nc2ccccc12.O=c1oc(-c2cccc(-c3nc4ccccc4c(=O)o3)n2)nc2ccccc12.O=c1oc(-c2coc(-c3nc4ccccc4c(=O)o3)c2)nc2ccccc12.O=c1oc(-c2csc(-c3nc4ccccc4c(=O)o3)c2)nc2ccccc12
InChIInChI=1S/2C21H11N3O4.2C20H11N3O4.2C20H10N2O5.2C20H10N2O4S/c25-20-12-6-1-3-8-14(12)23-18(27-20)16-10-5-11-17(22-16)19-24-15-9-4-2-7-13(15)21(26)28-19;25-20-13-5-1-3-7-15(13)23-18(27-20)12-9-10-17(22-11-12)19-24-16-8-4-2-6-14(16)21(26)28-19;24-19-12-5-1-3-7-14(12)22-17(26-19)11-9-16(21-10-11)18-23-15-8-4-2-6-13(15)20(25)27-18;24-19-11-5-1-3-7-13(11)22-17(26-19)15-9-10-16(21-15)18-23-14-8-4-2-6-12(14)20(25)27-18;23-19-12-5-1-3-7-14(12)21-17(26-19)11-9-16(25-10-11)18-22-15-8-4-2-6-13(15)20(24)27-18;23-19-11-5-1-3-7-13(11)21-17(26-19)15-9-10-16(25-15)18-22-14-8-4-2-6-12(14)20(24)27-18;23-19-12-5-1-3-7-14(12)21-17(25-19)11-9-16(27-10-11)18-22-15-8-4-2-6-13(15)20(24)26-18;23-19-11-5-1-3-7-13(11)21-17(25-19)15-9-10-16(27-15)18-22-14-8-4-2-6-12(14)20(24)26-18/h2*1-11H;2*1-10,21H;4*1-10H
InChIKeyAZFMZDZFRGKKMZ-UHFFFAOYSA-N
XLogP28.94
TPSA773.24 Ų
H-Bond Donors2
H-Bond Acceptors54
Rotatable Bonds16
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002918.69
LogP ≤ 528.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1054

Analyze 2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-3-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-2-[5-(4-chloro-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine;2-[5-[4-(diethylamino)-4H-3,1-benzoxazin-2-yl]thiophen-2-yl]-N,N-diethyl-4H-3,1-benzoxazin-4-amine;2-[3-methyl-5-(4-oxo-3,1-benzoxazin-2-yl)-4-phenylthiophen-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzofuran-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzothiophen-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2H-isoindol-1-yl]-3,1-benzoxazin-4-one;2-[1-(4-oxo-3,1-benzoxazin-2-yl)isoquinolin-4-yl]-3,1-benzoxazin-4-one;4-pyrrolidin-1-yl-2-[5-(4-pyrrolidin-1-yl-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine
CID 159245171
2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one
CID 159431038
benzyl 3-methylbutanoate;ethane;1-(furan-2-yl)ethyl 3-methylbutanoate;furan-2-ylmethyl 3-methylbutanoate;2-(furan-2-yl)propan-2-yl 3-methylbutanoate;N-methoxy-5-methylhexan-3-imine;N-(5-methylhexan-3-ylidene)hydroxylamine;1-phenylethyl 3-methylbutanoate;2-phenylpropan-2-yl 3-methylbutanoate;1-(1H-pyrrol-2-yl)ethyl 3-methylbutanoate;1H-pyrrol-2-ylmethyl 3-methylbutanoate;1-thiophen-2-ylethyl 3-methylbutanoate;thiophen-2-ylmethyl 3-methylbutanoate;2-thiophen-2-ylpropan-2-yl 3-methylbutanoate
CID 159622765
butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;butyl-ethyl-propyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;triethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium
CID 161129032
3-(ethoxymethyl)furan;3-(ethoxymethyl)-1H-indole;2-(ethoxymethyl)-5-methylfuran;4-(ethoxymethyl)-2-methylthiophene;1-(2-methoxyethoxy)propane;3-methyl-4-(propoxymethyl)thiophene;3-(propoxymethyl)-1-benzofuran;3-(propoxymethyl)furan;3-(propoxymethyl)-1H-indole
CID 161432227
3,5-bis[4-(dimethylamino)phenoxy]-N-(furan-2-ylmethyl)benzamide;4-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;5-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;furan-2-ylmethyl 3,5-bis[4-(dimethylamino)phenoxy]benzoate;1-N,1-N,3-N,3-N-tetramethyl-5-(1H-pyrrol-2-ylmethoxy)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetramethyl-5-(thiophen-2-ylmethoxy)benzene-1,3-diamine
CID 162066851
3,5-bis[4-(dimethylamino)phenoxy]-N-(furan-2-ylmethyl)benzamide;[3,5-bis[4-(dimethylamino)phenoxy]phenyl]methyl furan-2-carboxylate;4-[3-[4-(dimethylamino)phenoxy]-5-(furan-2-ylmethoxymethyl)phenoxy]-N,N-dimethylaniline;4-(furan-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;furan-2-ylmethyl 3,5-bis[4-(dimethylamino)phenoxy]benzoate;1-N,1-N,3-N,3-N-tetramethyl-5-(1H-pyrrol-2-ylmethoxy)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetramethyl-5-(thiophen-2-ylmethoxy)benzene-1,3-diamine
CID 162101760
Bis(benzyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);bis(cyclopenta-1,4-dien-1-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate);2-(furan-2-yl)ethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;furan-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;pyridin-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-2-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-thiophen-3-ylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate
CID 167676083

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-3-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one?
The IUPAC name of 2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-3-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one (CID 157277033) is 2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-3-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-3-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one?
The canonical SMILES for 2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-3-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one is O=c1oc(-c2c[nH]c(-c3nc4ccccc4c(=O)o3)c2)nc2ccccc12.O=c1oc(-c2ccc(-c3nc4ccccc4c(=O)o3)[nH]2)nc2ccccc12.O=c1oc(-c2ccc(-c3nc4ccccc4c(=O)o3)nc2)nc2ccccc12.O=c1oc(-c2ccc(-c3nc4ccccc4c(=O)o3)o2)nc2ccccc12.O=c1oc(-c2ccc(-c3nc4ccccc4c(=O)o3)s2)nc2ccccc12.O=c1oc(-c2cccc(-c3nc4ccccc4c(=O)o3)n2)nc2ccccc12.O=c1oc(-c2coc(-c3nc4ccccc4c(=O)o3)c2)nc2ccccc12.O=c1oc(-c2csc(-c3nc4ccccc4c(=O)o3)c2)nc2ccccc12.
What is the InChIKey of 2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-3-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one?
The InChIKey is AZFMZDZFRGKKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H11N3O4.2C20H11N3O4.2C20H10N2O5.2C20H10N2O4S/c25-20-12-6-1-3-8-14(12)23-18(27-20)16-10-5-11-17(22-16)19-24-15-9-4-2-7-13(15)21(26)28-19;25-20-13-5-1-3-7-15(13)23-18(27-20)12-9-10-17(22-11-12)19-24-16-8-4-2-6-14(16)21(26)28-19;24-19-12-5-1-3-7-14(12)22-17(26-19)11-9-16(21-10-11)18-23-15-8-4-2-6-13(15)20(25)27-18;24-19-11-5-1-3-7-13(11)22-17(26-19)15-9-10-16(21-15)18-23-14-8-4-2-6-12(14)20(25)27-18;23-19-12-5-1-3-7-14(12)21-17(26-19)11-9-16(25-10-11)18-22-15-8-4-2-6-13(15)20(24)27-18;23-19-11-5-1-3-7-13(11)21-17(26-19)15-9-10-16(25-15)18-22-14-8-4-2-6-12(14)20(24)27-18;23-19-12-5-1-3-7-14(12)21-17(25-19)11-9-16(27-10-11)18-22-15-8-4-2-6-13(15)20(24)26-18;23-19-11-5-1-3-7-13(11)21-17(25-19)15-9-10-16(27-15)18-22-14-8-4-2-6-12(14)20(24)26-18/h2*1-11H;2*1-10,21H;4*1-10H.
What are the key properties of 2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-3-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one?
2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-3-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one has a molecular weight of 2918.69 g/mol, XLogP of 28.94, 16 rotatable bonds, 2 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-3-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 157277033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).