[(E)-(10-benzoyl-7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-[7-ethyl-10-(4-morpholin-4-ylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-(7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] propanoate;[(E)-(7-methyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate

C121H101N11O24 — CID 172918257

IUPAC[(E)-(10-benzoyl-7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-[7-ethyl-10-(4-morpholin-4-ylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-(7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] propanoate;[(E)-(7-methyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate
SMILESCC(=O)O/N=C1\COc2c(ccc3c2c2ccccc2n3C)C1=O.CCC(=O)O/N=C1\COc2c(ccc3c2c2ccccc2n3CC)C1=O.CCn1c2ccc(C(=O)c3ccc(N4CCOCC4)cc3)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)CO3.CCn1c2ccc(C(=O)c3ccccc3)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)CO3.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)CO3
InChIInChI=1S/C30H27N3O6.C27H22N2O5.C26H20N2O5.C20H18N2O4.C18H14N2O4/c1-3-33-25-10-6-20(28(35)19-4-7-21(8-5-19)32-12-14-37-15-13-32)16-23(25)27-26(33)11-9-22-29(36)24(17-38-30(22)27)31-39-18(2)34;1-4-29-22-11-9-17(25(31)18-8-6-5-7-15(18)2)13-20(22)24-23(29)12-10-19-26(32)21(14-33-27(19)24)28-34-16(3)30;1-3-28-21-11-9-17(24(30)16-7-5-4-6-8-16)13-19(21)23-22(28)12-10-18-25(31)20(14-32-26(18)23)27-33-15(2)29;1-3-17(23)26-21-14-11-25-20-13(19(14)24)9-10-16-18(20)12-7-5-6-8-15(12)22(16)4-2;1-10(21)24-19-13-9-23-18-12(17(13)22)7-8-15-16(18)11-5-3-4-6-14(11)20(15)2/h4-11,16H,3,12-15,17H2,1-2H3;5-13H,4,14H2,1-3H3;4-13H,3,14H2,1-2H3;5-10H,3-4,11H2,1-2H3;3-8H,9H2,1-2H3/b31-24+;28-21+;27-20+;21-14+;19-13+
InChIKeyKEJCWBFIMCCNPJ-ZBIVBWPLSA-N
MW2093.19 g/mol
LogP20.29
Rot. Bonds17

About [(E)-(10-benzoyl-7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-[7-ethyl-10-(4-morpholin-4-ylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-(7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] propanoate;[(E)-(7-methyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate

[(E)-(10-benzoyl-7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-[7-ethyl-10-(4-morpholin-4-ylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-(7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] propanoate;[(E)-(7-methyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate (PubChem CID 172918257) has the molecular formula C121H101N11O24 and a molecular weight of 2093.19 g/mol. Its IUPAC name is [(E)-(10-benzoyl-7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-[7-ethyl-10-(4-morpholin-4-ylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-(7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] propanoate;[(E)-(7-methyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate.

Molecular Properties

Compound Name[(E)-(10-benzoyl-7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-[7-ethyl-10-(4-morpholin-4-ylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-(7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] propanoate;[(E)-(7-methyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate
PubChem CID172918257
Molecular FormulaC121H101N11O24
Molecular Weight2093.19 g/mol
Exact Mass2091.70
IUPAC Name[(E)-(10-benzoyl-7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-[7-ethyl-10-(4-morpholin-4-ylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-(7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] propanoate;[(E)-(7-methyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate
SMILESCC(=O)O/N=C1\COc2c(ccc3c2c2ccccc2n3C)C1=O.CCC(=O)O/N=C1\COc2c(ccc3c2c2ccccc2n3CC)C1=O.CCn1c2ccc(C(=O)c3ccc(N4CCOCC4)cc3)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)CO3.CCn1c2ccc(C(=O)c3ccccc3)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)CO3.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)CO3
InChIInChI=1S/C30H27N3O6.C27H22N2O5.C26H20N2O5.C20H18N2O4.C18H14N2O4/c1-3-33-25-10-6-20(28(35)19-4-7-21(8-5-19)32-12-14-37-15-13-32)16-23(25)27-26(33)11-9-22-29(36)24(17-38-30(22)27)31-39-18(2)34;1-4-29-22-11-9-17(25(31)18-8-6-5-7-15(18)2)13-20(22)24-23(29)12-10-19-26(32)21(14-33-27(19)24)28-34-16(3)30;1-3-28-21-11-9-17(24(30)16-7-5-4-6-8-16)13-19(21)23-22(28)12-10-18-25(31)20(14-32-26(18)23)27-33-15(2)29;1-3-17(23)26-21-14-11-25-20-13(19(14)24)9-10-16-18(20)12-7-5-6-8-15(12)22(16)4-2;1-10(21)24-19-13-9-23-18-12(17(13)22)7-8-15-16(18)11-5-3-4-6-14(11)20(15)2/h4-11,16H,3,12-15,17H2,1-2H3;5-13H,4,14H2,1-3H3;4-13H,3,14H2,1-2H3;5-10H,3-4,11H2,1-2H3;3-8H,9H2,1-2H3/b31-24+;28-21+;27-20+;21-14+;19-13+
InChIKeyKEJCWBFIMCCNPJ-ZBIVBWPLSA-N
XLogP20.29
TPSA413.13 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds17
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002093.19
LogP ≤ 520.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-(10-benzoyl-7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-[7-ethyl-10-(4-morpholin-4-ylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-(7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] propanoate;[(E)-(7-methyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-(10-benzoyl-7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-[7-ethyl-10-(4-morpholin-4-ylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-(7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] propanoate;[(E)-(7-methyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate?
The IUPAC name of [(E)-(10-benzoyl-7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-[7-ethyl-10-(4-morpholin-4-ylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-(7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] propanoate;[(E)-(7-methyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate (CID 172918257) is [(E)-(10-benzoyl-7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-[7-ethyl-10-(4-morpholin-4-ylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-(7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] propanoate;[(E)-(7-methyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate.
What is the SMILES notation for [(E)-(10-benzoyl-7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-[7-ethyl-10-(4-morpholin-4-ylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-(7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] propanoate;[(E)-(7-methyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate?
The canonical SMILES for [(E)-(10-benzoyl-7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-[7-ethyl-10-(4-morpholin-4-ylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-(7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] propanoate;[(E)-(7-methyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate is CC(=O)O/N=C1\COc2c(ccc3c2c2ccccc2n3C)C1=O.CCC(=O)O/N=C1\COc2c(ccc3c2c2ccccc2n3CC)C1=O.CCn1c2ccc(C(=O)c3ccc(N4CCOCC4)cc3)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)CO3.CCn1c2ccc(C(=O)c3ccccc3)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)CO3.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)CO3.
What is the InChIKey of [(E)-(10-benzoyl-7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-[7-ethyl-10-(4-morpholin-4-ylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-(7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] propanoate;[(E)-(7-methyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate?
The InChIKey is KEJCWBFIMCCNPJ-ZBIVBWPLSA-N. The full InChI is InChI=1S/C30H27N3O6.C27H22N2O5.C26H20N2O5.C20H18N2O4.C18H14N2O4/c1-3-33-25-10-6-20(28(35)19-4-7-21(8-5-19)32-12-14-37-15-13-32)16-23(25)27-26(33)11-9-22-29(36)24(17-38-30(22)27)31-39-18(2)34;1-4-29-22-11-9-17(25(31)18-8-6-5-7-15(18)2)13-20(22)24-23(29)12-10-19-26(32)21(14-33-27(19)24)28-34-16(3)30;1-3-28-21-11-9-17(24(30)16-7-5-4-6-8-16)13-19(21)23-22(28)12-10-18-25(31)20(14-32-26(18)23)27-33-15(2)29;1-3-17(23)26-21-14-11-25-20-13(19(14)24)9-10-16-18(20)12-7-5-6-8-15(12)22(16)4-2;1-10(21)24-19-13-9-23-18-12(17(13)22)7-8-15-16(18)11-5-3-4-6-14(11)20(15)2/h4-11,16H,3,12-15,17H2,1-2H3;5-13H,4,14H2,1-3H3;4-13H,3,14H2,1-2H3;5-10H,3-4,11H2,1-2H3;3-8H,9H2,1-2H3/b31-24+;28-21+;27-20+;21-14+;19-13+.
What are the key properties of [(E)-(10-benzoyl-7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-[7-ethyl-10-(4-morpholin-4-ylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-(7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] propanoate;[(E)-(7-methyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate?
[(E)-(10-benzoyl-7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-[7-ethyl-10-(4-morpholin-4-ylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-(7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] propanoate;[(E)-(7-methyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate has a molecular weight of 2093.19 g/mol, XLogP of 20.29, 17 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(10-benzoyl-7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-[7-ethyl-10-(4-morpholin-4-ylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] acetate;[(E)-(7-ethyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] propanoate;[(E)-(7-methyl-4-oxopyrano[3,2-c]carbazol-3-ylidene)amino] acetate is sourced from PubChem (CID 172918257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).