[(Z)-(9-butanoyl-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene)amino] acetate;[(Z)-[9-(2,6-dimethylbenzoyl)-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-[6-ethyl-3-oxo-9-(thiophene-2-carbonyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-(24-ethyl-4,11,19-trioxo-17-oxa-24-azahexacyclo[12.10.0.03,12.05,10.015,23.016,20]tetracosa-1(14),2,5,7,9,12,15(23),16(20),21-nonaen-18-ylidene)amino] acetate

C98H74N8O21S — CID 172920355

IUPAC[(Z)-(9-butanoyl-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene)amino] acetate;[(Z)-[9-(2,6-dimethylbenzoyl)-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-[6-ethyl-3-oxo-9-(thiophene-2-carbonyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-(24-ethyl-4,11,19-trioxo-17-oxa-24-azahexacyclo[12.10.0.03,12.05,10.015,23.016,20]tetracosa-1(14),2,5,7,9,12,15(23),16(20),21-nonaen-18-ylidene)amino] acetate
SMILESCCCC(=O)c1ccc2c(c1)c1c3c(ccc1n2CC)C(=O)/C(=N/OC(C)=O)O3.CCn1c2cc3c(=O)c4ccccc4c(=O)c3cc2c2c3o/c(=N\OC(C)=O)c(=O)c3ccc21.CCn1c2ccc(C(=O)c3c(C)cccc3C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)O3.CCn1c2ccc(C(=O)c3cccs3)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)O3
InChIInChI=1S/C27H22N2O5.C26H16N2O6.C23H16N2O5S.C22H20N2O5/c1-5-29-20-11-9-17(24(31)22-14(2)7-6-8-15(22)3)13-19(20)23-21(29)12-10-18-25(32)27(33-26(18)23)28-34-16(4)30;1-3-28-19-9-8-15-24(32)26(27-34-12(2)29)33-25(15)21(19)18-10-16-17(11-20(18)28)23(31)14-7-5-4-6-13(14)22(16)30;1-3-25-16-8-6-13(20(27)18-5-4-10-31-18)11-15(16)19-17(25)9-7-14-21(28)23(29-22(14)19)24-30-12(2)26;1-4-6-18(26)13-7-9-16-15(11-13)19-17(24(16)5-2)10-8-14-20(27)22(28-21(14)19)23-29-12(3)25/h6-13H,5H2,1-4H3;4-11H,3H2,1-2H3;4-11H,3H2,1-2H3;7-11H,4-6H2,1-3H3/b28-27-;27-26-;24-23-;23-22-
InChIKeyXVJXRSWZNMSXQP-BBFQZGEDSA-N
MW1731.77 g/mol
LogP17.12
Rot. Bonds15

About [(Z)-(9-butanoyl-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene)amino] acetate;[(Z)-[9-(2,6-dimethylbenzoyl)-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-[6-ethyl-3-oxo-9-(thiophene-2-carbonyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-(24-ethyl-4,11,19-trioxo-17-oxa-24-azahexacyclo[12.10.0.03,12.05,10.015,23.016,20]tetracosa-1(14),2,5,7,9,12,15(23),16(20),21-nonaen-18-ylidene)amino] acetate

[(Z)-(9-butanoyl-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene)amino] acetate;[(Z)-[9-(2,6-dimethylbenzoyl)-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-[6-ethyl-3-oxo-9-(thiophene-2-carbonyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-(24-ethyl-4,11,19-trioxo-17-oxa-24-azahexacyclo[12.10.0.03,12.05,10.015,23.016,20]tetracosa-1(14),2,5,7,9,12,15(23),16(20),21-nonaen-18-ylidene)amino] acetate (PubChem CID 172920355) has the molecular formula C98H74N8O21S and a molecular weight of 1731.77 g/mol. Its IUPAC name is [(Z)-(9-butanoyl-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene)amino] acetate;[(Z)-[9-(2,6-dimethylbenzoyl)-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-[6-ethyl-3-oxo-9-(thiophene-2-carbonyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-(24-ethyl-4,11,19-trioxo-17-oxa-24-azahexacyclo[12.10.0.03,12.05,10.015,23.016,20]tetracosa-1(14),2,5,7,9,12,15(23),16(20),21-nonaen-18-ylidene)amino] acetate.

Molecular Properties

Compound Name[(Z)-(9-butanoyl-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene)amino] acetate;[(Z)-[9-(2,6-dimethylbenzoyl)-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-[6-ethyl-3-oxo-9-(thiophene-2-carbonyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-(24-ethyl-4,11,19-trioxo-17-oxa-24-azahexacyclo[12.10.0.03,12.05,10.015,23.016,20]tetracosa-1(14),2,5,7,9,12,15(23),16(20),21-nonaen-18-ylidene)amino] acetate
PubChem CID172920355
Molecular FormulaC98H74N8O21S
Molecular Weight1731.77 g/mol
Exact Mass1730.47
IUPAC Name[(Z)-(9-butanoyl-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene)amino] acetate;[(Z)-[9-(2,6-dimethylbenzoyl)-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-[6-ethyl-3-oxo-9-(thiophene-2-carbonyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-(24-ethyl-4,11,19-trioxo-17-oxa-24-azahexacyclo[12.10.0.03,12.05,10.015,23.016,20]tetracosa-1(14),2,5,7,9,12,15(23),16(20),21-nonaen-18-ylidene)amino] acetate
SMILESCCCC(=O)c1ccc2c(c1)c1c3c(ccc1n2CC)C(=O)/C(=N/OC(C)=O)O3.CCn1c2cc3c(=O)c4ccccc4c(=O)c3cc2c2c3o/c(=N\OC(C)=O)c(=O)c3ccc21.CCn1c2ccc(C(=O)c3c(C)cccc3C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)O3.CCn1c2ccc(C(=O)c3cccs3)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)O3
InChIInChI=1S/C27H22N2O5.C26H16N2O6.C23H16N2O5S.C22H20N2O5/c1-5-29-20-11-9-17(24(31)22-14(2)7-6-8-15(22)3)13-19(20)23-21(29)12-10-18-25(32)27(33-26(18)23)28-34-16(4)30;1-3-28-19-9-8-15-24(32)26(27-34-12(2)29)33-25(15)21(19)18-10-16-17(11-20(18)28)23(31)14-7-5-4-6-13(14)22(16)30;1-3-25-16-8-6-13(20(27)18-5-4-10-31-18)11-15(16)19-17(25)9-7-14-21(28)23(29-22(14)19)24-30-12(2)26;1-4-6-18(26)13-7-9-16-15(11-13)19-17(24(16)5-2)10-8-14-20(27)22(28-21(14)19)23-29-12(3)25/h6-13H,5H2,1-4H3;4-11H,3H2,1-2H3;4-11H,3H2,1-2H3;7-11H,4-6H2,1-3H3/b28-27-;27-26-;24-23-;23-22-
InChIKeyXVJXRSWZNMSXQP-BBFQZGEDSA-N
XLogP17.12
TPSA368.82 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds15
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001731.77
LogP ≤ 517.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', '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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze [(Z)-(9-butanoyl-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene)amino] acetate;[(Z)-[9-(2,6-dimethylbenzoyl)-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-[6-ethyl-3-oxo-9-(thiophene-2-carbonyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-(24-ethyl-4,11,19-trioxo-17-oxa-24-azahexacyclo[12.10.0.03,12.05,10.015,23.016,20]tetracosa-1(14),2,5,7,9,12,15(23),16(20),21-nonaen-18-ylidene)amino] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(Z)-(9-butanoyl-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene)amino] acetate;[(Z)-[9-(2,6-dimethylbenzoyl)-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-[6-ethyl-3-oxo-9-(thiophene-2-carbonyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-(24-ethyl-4,11,19-trioxo-17-oxa-24-azahexacyclo[12.10.0.03,12.05,10.015,23.016,20]tetracosa-1(14),2,5,7,9,12,15(23),16(20),21-nonaen-18-ylidene)amino] acetate?
The IUPAC name of [(Z)-(9-butanoyl-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene)amino] acetate;[(Z)-[9-(2,6-dimethylbenzoyl)-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-[6-ethyl-3-oxo-9-(thiophene-2-carbonyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-(24-ethyl-4,11,19-trioxo-17-oxa-24-azahexacyclo[12.10.0.03,12.05,10.015,23.016,20]tetracosa-1(14),2,5,7,9,12,15(23),16(20),21-nonaen-18-ylidene)amino] acetate (CID 172920355) is [(Z)-(9-butanoyl-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene)amino] acetate;[(Z)-[9-(2,6-dimethylbenzoyl)-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-[6-ethyl-3-oxo-9-(thiophene-2-carbonyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-(24-ethyl-4,11,19-trioxo-17-oxa-24-azahexacyclo[12.10.0.03,12.05,10.015,23.016,20]tetracosa-1(14),2,5,7,9,12,15(23),16(20),21-nonaen-18-ylidene)amino] acetate.
What is the SMILES notation for [(Z)-(9-butanoyl-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene)amino] acetate;[(Z)-[9-(2,6-dimethylbenzoyl)-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-[6-ethyl-3-oxo-9-(thiophene-2-carbonyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-(24-ethyl-4,11,19-trioxo-17-oxa-24-azahexacyclo[12.10.0.03,12.05,10.015,23.016,20]tetracosa-1(14),2,5,7,9,12,15(23),16(20),21-nonaen-18-ylidene)amino] acetate?
The canonical SMILES for [(Z)-(9-butanoyl-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene)amino] acetate;[(Z)-[9-(2,6-dimethylbenzoyl)-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-[6-ethyl-3-oxo-9-(thiophene-2-carbonyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-(24-ethyl-4,11,19-trioxo-17-oxa-24-azahexacyclo[12.10.0.03,12.05,10.015,23.016,20]tetracosa-1(14),2,5,7,9,12,15(23),16(20),21-nonaen-18-ylidene)amino] acetate is CCCC(=O)c1ccc2c(c1)c1c3c(ccc1n2CC)C(=O)/C(=N/OC(C)=O)O3.CCn1c2cc3c(=O)c4ccccc4c(=O)c3cc2c2c3o/c(=N\OC(C)=O)c(=O)c3ccc21.CCn1c2ccc(C(=O)c3c(C)cccc3C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)O3.CCn1c2ccc(C(=O)c3cccs3)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)O3.
What is the InChIKey of [(Z)-(9-butanoyl-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene)amino] acetate;[(Z)-[9-(2,6-dimethylbenzoyl)-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-[6-ethyl-3-oxo-9-(thiophene-2-carbonyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-(24-ethyl-4,11,19-trioxo-17-oxa-24-azahexacyclo[12.10.0.03,12.05,10.015,23.016,20]tetracosa-1(14),2,5,7,9,12,15(23),16(20),21-nonaen-18-ylidene)amino] acetate?
The InChIKey is XVJXRSWZNMSXQP-BBFQZGEDSA-N. The full InChI is InChI=1S/C27H22N2O5.C26H16N2O6.C23H16N2O5S.C22H20N2O5/c1-5-29-20-11-9-17(24(31)22-14(2)7-6-8-15(22)3)13-19(20)23-21(29)12-10-18-25(32)27(33-26(18)23)28-34-16(4)30;1-3-28-19-9-8-15-24(32)26(27-34-12(2)29)33-25(15)21(19)18-10-16-17(11-20(18)28)23(31)14-7-5-4-6-13(14)22(16)30;1-3-25-16-8-6-13(20(27)18-5-4-10-31-18)11-15(16)19-17(25)9-7-14-21(28)23(29-22(14)19)24-30-12(2)26;1-4-6-18(26)13-7-9-16-15(11-13)19-17(24(16)5-2)10-8-14-20(27)22(28-21(14)19)23-29-12(3)25/h6-13H,5H2,1-4H3;4-11H,3H2,1-2H3;4-11H,3H2,1-2H3;7-11H,4-6H2,1-3H3/b28-27-;27-26-;24-23-;23-22-.
What are the key properties of [(Z)-(9-butanoyl-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene)amino] acetate;[(Z)-[9-(2,6-dimethylbenzoyl)-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-[6-ethyl-3-oxo-9-(thiophene-2-carbonyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-(24-ethyl-4,11,19-trioxo-17-oxa-24-azahexacyclo[12.10.0.03,12.05,10.015,23.016,20]tetracosa-1(14),2,5,7,9,12,15(23),16(20),21-nonaen-18-ylidene)amino] acetate?
[(Z)-(9-butanoyl-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene)amino] acetate;[(Z)-[9-(2,6-dimethylbenzoyl)-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-[6-ethyl-3-oxo-9-(thiophene-2-carbonyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-(24-ethyl-4,11,19-trioxo-17-oxa-24-azahexacyclo[12.10.0.03,12.05,10.015,23.016,20]tetracosa-1(14),2,5,7,9,12,15(23),16(20),21-nonaen-18-ylidene)amino] acetate has a molecular weight of 1731.77 g/mol, XLogP of 17.12, 15 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(9-butanoyl-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene)amino] acetate;[(Z)-[9-(2,6-dimethylbenzoyl)-6-ethyl-3-oxofuro[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-[6-ethyl-3-oxo-9-(thiophene-2-carbonyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate;[(Z)-(24-ethyl-4,11,19-trioxo-17-oxa-24-azahexacyclo[12.10.0.03,12.05,10.015,23.016,20]tetracosa-1(14),2,5,7,9,12,15(23),16(20),21-nonaen-18-ylidene)amino] acetate is sourced from PubChem (CID 172920355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).