1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)quinolin-6-yl]ethane-1,2-dione;1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-5-yl]ethane-1,2-dione;2-[6-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-3H-benzimidazol-5-yl]methyl]phenyl]methyl]-1H-benzimidazol-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzofuran-3-carbonyl]benzoyl]-1-benzofuran-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzothiophene-3-carbonyl]benzoyl]-1-benzothiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-benzoxazol-5-yl]methyl]phenyl]methyl]-1,3-benzoxazol-2-yl]-3,1-benzoxazin-4-one

C216H114N22O36S4 — CID 157418561

IUPAC1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)quinolin-6-yl]ethane-1,2-dione;1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-5-yl]ethane-1,2-dione;2-[6-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-3H-benzimidazol-5-yl]methyl]phenyl]methyl]-1H-benzimidazol-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzofuran-3-carbonyl]benzoyl]-1-benzofuran-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzothiophene-3-carbonyl]benzoyl]-1-benzothiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-benzoxazol-5-yl]methyl]phenyl]methyl]-1,3-benzoxazol-2-yl]-3,1-benzoxazin-4-one
SMILESO=C(C(=O)c1ccc2nc(-c3nc4ccccc4c(=O)o3)ccc2c1)c1ccc2nc(-c3nc4ccccc4c(=O)o3)ccc2c1.O=C(C(=O)c1cnc(-c2nc3ccccc3c(=O)o2)s1)c1cnc(-c2nc3ccccc3c(=O)o2)s1.O=C(c1ccc(C(=O)c2c(-c3nc4ccccc4c(=O)o3)oc3ccccc23)cc1)c1c(-c2nc3ccccc3c(=O)o2)oc2ccccc12.O=C(c1ccc(C(=O)c2c(-c3nc4ccccc4c(=O)o3)sc3ccccc23)cc1)c1c(-c2nc3ccccc3c(=O)o2)sc2ccccc12.O=c1oc(-c2nc3cc(Cc4ccc(Cc5ccc6oc(-c7nc8ccccc8c(=O)o7)nc6c5)cc4)ccc3o2)nc2ccccc12.O=c1oc(-c2nc3ccc(Cc4ccc(Cc5ccc6nc(-c7nc8ccccc8c(=O)o7)[nH]c6c5)cc4)cc3[nH]2)nc2ccccc12
InChIInChI=1S/C40H20N2O8.C40H20N2O6S2.C38H24N6O4.C38H22N4O6.C36H18N4O6.C24H10N4O6S2/c43-33(31-25-11-3-7-15-29(25)47-35(31)37-41-27-13-5-1-9-23(27)39(45)49-37)21-17-19-22(20-18-21)34(44)32-26-12-4-8-16-30(26)48-36(32)38-42-28-14-6-2-10-24(28)40(46)50-38;43-33(31-25-11-3-7-15-29(25)49-35(31)37-41-27-13-5-1-9-23(27)39(45)47-37)21-17-19-22(20-18-21)34(44)32-26-12-4-8-16-30(26)50-36(32)38-42-28-14-6-2-10-24(28)40(46)48-38;45-37-25-5-1-3-7-27(25)43-35(47-37)33-39-29-15-13-23(19-31(29)41-33)17-21-9-11-22(12-10-21)18-24-14-16-30-32(20-24)42-34(40-30)36-44-28-8-4-2-6-26(28)38(46)48-36;43-37-25-5-1-3-7-27(25)39-35(47-37)33-41-29-19-23(13-15-31(29)45-33)17-21-9-11-22(12-10-21)18-24-14-16-32-30(20-24)42-34(46-32)36-40-28-8-4-2-6-26(28)38(44)48-36;41-31(21-11-13-25-19(17-21)9-15-29(37-25)33-39-27-7-3-1-5-23(27)35(43)45-33)32(42)22-12-14-26-20(18-22)10-16-30(38-26)34-40-28-8-4-2-6-24(28)36(44)46-34;29-17(15-9-25-21(35-15)19-27-13-7-3-1-5-11(13)23(31)33-19)18(30)16-10-26-22(36-16)20-28-14-8-4-2-6-12(14)24(32)34-20/h2*1-20H;1-16,19-20H,17-18H2,(H,39,41)(H,40,42);1-16,19-20H,17-18H2;1-18H;1-10H
InChIKeyBPDDHWJWBMNGAJ-UHFFFAOYSA-N
MW3721.67 g/mol
LogP41.53
Rot. Bonds34

About 1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)quinolin-6-yl]ethane-1,2-dione;1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-5-yl]ethane-1,2-dione;2-[6-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-3H-benzimidazol-5-yl]methyl]phenyl]methyl]-1H-benzimidazol-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzofuran-3-carbonyl]benzoyl]-1-benzofuran-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzothiophene-3-carbonyl]benzoyl]-1-benzothiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-benzoxazol-5-yl]methyl]phenyl]methyl]-1,3-benzoxazol-2-yl]-3,1-benzoxazin-4-one

1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)quinolin-6-yl]ethane-1,2-dione;1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-5-yl]ethane-1,2-dione;2-[6-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-3H-benzimidazol-5-yl]methyl]phenyl]methyl]-1H-benzimidazol-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzofuran-3-carbonyl]benzoyl]-1-benzofuran-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzothiophene-3-carbonyl]benzoyl]-1-benzothiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-benzoxazol-5-yl]methyl]phenyl]methyl]-1,3-benzoxazol-2-yl]-3,1-benzoxazin-4-one (PubChem CID 157418561) has the molecular formula C216H114N22O36S4 and a molecular weight of 3721.67 g/mol. Its IUPAC name is 1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)quinolin-6-yl]ethane-1,2-dione;1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-5-yl]ethane-1,2-dione;2-[6-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-3H-benzimidazol-5-yl]methyl]phenyl]methyl]-1H-benzimidazol-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzofuran-3-carbonyl]benzoyl]-1-benzofuran-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzothiophene-3-carbonyl]benzoyl]-1-benzothiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-benzoxazol-5-yl]methyl]phenyl]methyl]-1,3-benzoxazol-2-yl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)quinolin-6-yl]ethane-1,2-dione;1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-5-yl]ethane-1,2-dione;2-[6-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-3H-benzimidazol-5-yl]methyl]phenyl]methyl]-1H-benzimidazol-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzofuran-3-carbonyl]benzoyl]-1-benzofuran-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzothiophene-3-carbonyl]benzoyl]-1-benzothiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-benzoxazol-5-yl]methyl]phenyl]methyl]-1,3-benzoxazol-2-yl]-3,1-benzoxazin-4-one
PubChem CID157418561
Molecular FormulaC216H114N22O36S4
Molecular Weight3721.67 g/mol
Exact Mass3718.66
IUPAC Name1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)quinolin-6-yl]ethane-1,2-dione;1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-5-yl]ethane-1,2-dione;2-[6-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-3H-benzimidazol-5-yl]methyl]phenyl]methyl]-1H-benzimidazol-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzofuran-3-carbonyl]benzoyl]-1-benzofuran-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzothiophene-3-carbonyl]benzoyl]-1-benzothiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-benzoxazol-5-yl]methyl]phenyl]methyl]-1,3-benzoxazol-2-yl]-3,1-benzoxazin-4-one
SMILESO=C(C(=O)c1ccc2nc(-c3nc4ccccc4c(=O)o3)ccc2c1)c1ccc2nc(-c3nc4ccccc4c(=O)o3)ccc2c1.O=C(C(=O)c1cnc(-c2nc3ccccc3c(=O)o2)s1)c1cnc(-c2nc3ccccc3c(=O)o2)s1.O=C(c1ccc(C(=O)c2c(-c3nc4ccccc4c(=O)o3)oc3ccccc23)cc1)c1c(-c2nc3ccccc3c(=O)o2)oc2ccccc12.O=C(c1ccc(C(=O)c2c(-c3nc4ccccc4c(=O)o3)sc3ccccc23)cc1)c1c(-c2nc3ccccc3c(=O)o2)sc2ccccc12.O=c1oc(-c2nc3cc(Cc4ccc(Cc5ccc6oc(-c7nc8ccccc8c(=O)o7)nc6c5)cc4)ccc3o2)nc2ccccc12.O=c1oc(-c2nc3ccc(Cc4ccc(Cc5ccc6nc(-c7nc8ccccc8c(=O)o7)[nH]c6c5)cc4)cc3[nH]2)nc2ccccc12
InChIInChI=1S/C40H20N2O8.C40H20N2O6S2.C38H24N6O4.C38H22N4O6.C36H18N4O6.C24H10N4O6S2/c43-33(31-25-11-3-7-15-29(25)47-35(31)37-41-27-13-5-1-9-23(27)39(45)49-37)21-17-19-22(20-18-21)34(44)32-26-12-4-8-16-30(26)48-36(32)38-42-28-14-6-2-10-24(28)40(46)50-38;43-33(31-25-11-3-7-15-29(25)49-35(31)37-41-27-13-5-1-9-23(27)39(45)47-37)21-17-19-22(20-18-21)34(44)32-26-12-4-8-16-30(26)50-36(32)38-42-28-14-6-2-10-24(28)40(46)48-38;45-37-25-5-1-3-7-27(25)43-35(47-37)33-39-29-15-13-23(19-31(29)41-33)17-21-9-11-22(12-10-21)18-24-14-16-30-32(20-24)42-34(40-30)36-44-28-8-4-2-6-26(28)38(46)48-36;43-37-25-5-1-3-7-27(25)39-35(47-37)33-41-29-19-23(13-15-31(29)45-33)17-21-9-11-22(12-10-21)18-24-14-16-32-30(20-24)42-34(46-32)36-40-28-8-4-2-6-26(28)38(44)48-36;41-31(21-11-13-25-19(17-21)9-15-29(37-25)33-39-27-7-3-1-5-23(27)35(43)45-33)32(42)22-12-14-26-20(18-22)10-16-30(38-26)34-40-28-8-4-2-6-24(28)36(44)46-34;29-17(15-9-25-21(35-15)19-27-13-7-3-1-5-11(13)23(31)33-19)18(30)16-10-26-22(36-16)20-28-14-8-4-2-6-12(14)24(32)34-20/h2*1-20H;1-16,19-20H,17-18H2,(H,39,41)(H,40,42);1-16,19-20H,17-18H2;1-18H;1-10H
InChIKeyBPDDHWJWBMNGAJ-UHFFFAOYSA-N
XLogP41.53
TPSA841.02 Ų
H-Bond Donors2
H-Bond Acceptors60
Rotatable Bonds34
Heavy Atoms278
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003721.67
LogP ≤ 541.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)quinolin-6-yl]ethane-1,2-dione;1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-5-yl]ethane-1,2-dione;2-[6-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-3H-benzimidazol-5-yl]methyl]phenyl]methyl]-1H-benzimidazol-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzofuran-3-carbonyl]benzoyl]-1-benzofuran-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzothiophene-3-carbonyl]benzoyl]-1-benzothiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-benzoxazol-5-yl]methyl]phenyl]methyl]-1,3-benzoxazol-2-yl]-3,1-benzoxazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)quinolin-6-yl]ethane-1,2-dione;1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-5-yl]ethane-1,2-dione;2-[6-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-3H-benzimidazol-5-yl]methyl]phenyl]methyl]-1H-benzimidazol-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzofuran-3-carbonyl]benzoyl]-1-benzofuran-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzothiophene-3-carbonyl]benzoyl]-1-benzothiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-benzoxazol-5-yl]methyl]phenyl]methyl]-1,3-benzoxazol-2-yl]-3,1-benzoxazin-4-one?
The IUPAC name of 1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)quinolin-6-yl]ethane-1,2-dione;1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-5-yl]ethane-1,2-dione;2-[6-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-3H-benzimidazol-5-yl]methyl]phenyl]methyl]-1H-benzimidazol-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzofuran-3-carbonyl]benzoyl]-1-benzofuran-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzothiophene-3-carbonyl]benzoyl]-1-benzothiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-benzoxazol-5-yl]methyl]phenyl]methyl]-1,3-benzoxazol-2-yl]-3,1-benzoxazin-4-one (CID 157418561) is 1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)quinolin-6-yl]ethane-1,2-dione;1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-5-yl]ethane-1,2-dione;2-[6-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-3H-benzimidazol-5-yl]methyl]phenyl]methyl]-1H-benzimidazol-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzofuran-3-carbonyl]benzoyl]-1-benzofuran-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzothiophene-3-carbonyl]benzoyl]-1-benzothiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-benzoxazol-5-yl]methyl]phenyl]methyl]-1,3-benzoxazol-2-yl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)quinolin-6-yl]ethane-1,2-dione;1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-5-yl]ethane-1,2-dione;2-[6-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-3H-benzimidazol-5-yl]methyl]phenyl]methyl]-1H-benzimidazol-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzofuran-3-carbonyl]benzoyl]-1-benzofuran-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzothiophene-3-carbonyl]benzoyl]-1-benzothiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-benzoxazol-5-yl]methyl]phenyl]methyl]-1,3-benzoxazol-2-yl]-3,1-benzoxazin-4-one?
The canonical SMILES for 1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)quinolin-6-yl]ethane-1,2-dione;1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-5-yl]ethane-1,2-dione;2-[6-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-3H-benzimidazol-5-yl]methyl]phenyl]methyl]-1H-benzimidazol-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzofuran-3-carbonyl]benzoyl]-1-benzofuran-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzothiophene-3-carbonyl]benzoyl]-1-benzothiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-benzoxazol-5-yl]methyl]phenyl]methyl]-1,3-benzoxazol-2-yl]-3,1-benzoxazin-4-one is O=C(C(=O)c1ccc2nc(-c3nc4ccccc4c(=O)o3)ccc2c1)c1ccc2nc(-c3nc4ccccc4c(=O)o3)ccc2c1.O=C(C(=O)c1cnc(-c2nc3ccccc3c(=O)o2)s1)c1cnc(-c2nc3ccccc3c(=O)o2)s1.O=C(c1ccc(C(=O)c2c(-c3nc4ccccc4c(=O)o3)oc3ccccc23)cc1)c1c(-c2nc3ccccc3c(=O)o2)oc2ccccc12.O=C(c1ccc(C(=O)c2c(-c3nc4ccccc4c(=O)o3)sc3ccccc23)cc1)c1c(-c2nc3ccccc3c(=O)o2)sc2ccccc12.O=c1oc(-c2nc3cc(Cc4ccc(Cc5ccc6oc(-c7nc8ccccc8c(=O)o7)nc6c5)cc4)ccc3o2)nc2ccccc12.O=c1oc(-c2nc3ccc(Cc4ccc(Cc5ccc6nc(-c7nc8ccccc8c(=O)o7)[nH]c6c5)cc4)cc3[nH]2)nc2ccccc12.
What is the InChIKey of 1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)quinolin-6-yl]ethane-1,2-dione;1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-5-yl]ethane-1,2-dione;2-[6-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-3H-benzimidazol-5-yl]methyl]phenyl]methyl]-1H-benzimidazol-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzofuran-3-carbonyl]benzoyl]-1-benzofuran-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzothiophene-3-carbonyl]benzoyl]-1-benzothiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-benzoxazol-5-yl]methyl]phenyl]methyl]-1,3-benzoxazol-2-yl]-3,1-benzoxazin-4-one?
The InChIKey is BPDDHWJWBMNGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H20N2O8.C40H20N2O6S2.C38H24N6O4.C38H22N4O6.C36H18N4O6.C24H10N4O6S2/c43-33(31-25-11-3-7-15-29(25)47-35(31)37-41-27-13-5-1-9-23(27)39(45)49-37)21-17-19-22(20-18-21)34(44)32-26-12-4-8-16-30(26)48-36(32)38-42-28-14-6-2-10-24(28)40(46)50-38;43-33(31-25-11-3-7-15-29(25)49-35(31)37-41-27-13-5-1-9-23(27)39(45)47-37)21-17-19-22(20-18-21)34(44)32-26-12-4-8-16-30(26)50-36(32)38-42-28-14-6-2-10-24(28)40(46)48-38;45-37-25-5-1-3-7-27(25)43-35(47-37)33-39-29-15-13-23(19-31(29)41-33)17-21-9-11-22(12-10-21)18-24-14-16-30-32(20-24)42-34(40-30)36-44-28-8-4-2-6-26(28)38(46)48-36;43-37-25-5-1-3-7-27(25)39-35(47-37)33-41-29-19-23(13-15-31(29)45-33)17-21-9-11-22(12-10-21)18-24-14-16-32-30(20-24)42-34(46-32)36-40-28-8-4-2-6-26(28)38(44)48-36;41-31(21-11-13-25-19(17-21)9-15-29(37-25)33-39-27-7-3-1-5-23(27)35(43)45-33)32(42)22-12-14-26-20(18-22)10-16-30(38-26)34-40-28-8-4-2-6-24(28)36(44)46-34;29-17(15-9-25-21(35-15)19-27-13-7-3-1-5-11(13)23(31)33-19)18(30)16-10-26-22(36-16)20-28-14-8-4-2-6-12(14)24(32)34-20/h2*1-20H;1-16,19-20H,17-18H2,(H,39,41)(H,40,42);1-16,19-20H,17-18H2;1-18H;1-10H.
What are the key properties of 1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)quinolin-6-yl]ethane-1,2-dione;1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-5-yl]ethane-1,2-dione;2-[6-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-3H-benzimidazol-5-yl]methyl]phenyl]methyl]-1H-benzimidazol-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzofuran-3-carbonyl]benzoyl]-1-benzofuran-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzothiophene-3-carbonyl]benzoyl]-1-benzothiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-benzoxazol-5-yl]methyl]phenyl]methyl]-1,3-benzoxazol-2-yl]-3,1-benzoxazin-4-one?
1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)quinolin-6-yl]ethane-1,2-dione;1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-5-yl]ethane-1,2-dione;2-[6-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-3H-benzimidazol-5-yl]methyl]phenyl]methyl]-1H-benzimidazol-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzofuran-3-carbonyl]benzoyl]-1-benzofuran-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzothiophene-3-carbonyl]benzoyl]-1-benzothiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-benzoxazol-5-yl]methyl]phenyl]methyl]-1,3-benzoxazol-2-yl]-3,1-benzoxazin-4-one has a molecular weight of 3721.67 g/mol, XLogP of 41.53, 34 rotatable bonds, 2 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)quinolin-6-yl]ethane-1,2-dione;1,2-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-5-yl]ethane-1,2-dione;2-[6-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-3H-benzimidazol-5-yl]methyl]phenyl]methyl]-1H-benzimidazol-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzofuran-3-carbonyl]benzoyl]-1-benzofuran-2-yl]-3,1-benzoxazin-4-one;2-[3-[4-[2-(4-oxo-3,1-benzoxazin-2-yl)-1-benzothiophene-3-carbonyl]benzoyl]-1-benzothiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-benzoxazol-5-yl]methyl]phenyl]methyl]-1,3-benzoxazol-2-yl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 157418561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).