[(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate

C25H18N2O5 — CID 58490074

IUPAC[(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate
SMILESCCn1c2ccc(C(=O)c3ccccc3)cc2c2cc3c(cc21)O/C(=N\OC(C)=O)C3=O
InChIInChI=1S/C25H18N2O5/c1-3-27-20-10-9-16(23(29)15-7-5-4-6-8-15)11-17(20)18-12-19-22(13-21(18)27)31-25(24(19)30)26-32-14(2)28/h4-13H,3H2,1-2H3/b26-25-
InChIKeyYJFSNFUGWNLAGS-QPLCGJKRSA-N
MW426.43 g/mol
LogP4.50
Rot. Bonds4

About [(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate

[(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate (PubChem CID 58490074) has the molecular formula C25H18N2O5 and a molecular weight of 426.43 g/mol. Its IUPAC name is [(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate.

Molecular Properties

Compound Name[(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate
PubChem CID58490074
Molecular FormulaC25H18N2O5
Molecular Weight426.43 g/mol
Exact Mass426.12
IUPAC Name[(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate
SMILESCCn1c2ccc(C(=O)c3ccccc3)cc2c2cc3c(cc21)O/C(=N\OC(C)=O)C3=O
InChIInChI=1S/C25H18N2O5/c1-3-27-20-10-9-16(23(29)15-7-5-4-6-8-15)11-17(20)18-12-19-22(13-21(18)27)31-25(24(19)30)26-32-14(2)28/h4-13H,3H2,1-2H3/b26-25-
InChIKeyYJFSNFUGWNLAGS-QPLCGJKRSA-N
XLogP4.50
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2Z)-2-acetyloxyimino-6-ethyl-3-oxofuro[3,2-c]carbazole-9-carbonyl]phenyl] acetate
CID 58490017
[(Z)-[6-ethyl-3-oxo-9-(2-propan-2-ylbenzoyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate
CID 58490060
[1-(6-benzoyl-9-ethylcarbazol-3-yl)octa-2,4,6-triynylideneamino] acetate
CID 59148525
[1-(6-benzoyl-9-ethylcarbazol-3-yl)decylideneamino] acetate
CID 123957224
(6-amino-9-ethylcarbazol-3-yl)-phenylmethanone
CID 118892872
[(E)-[16-(4-bromobenzoyl)-12-ethyl-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate
CID 58490096
(6-benzoyl-8,9-diethylcarbazol-3-yl)-phenylmethanone
CID 174793768
[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxoethyl]-dimethylsulfanium
CID 59664419
[4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate
CID 156846404
bis([(E)-[14-(4-bromobenzoyl)-18-ethyl-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate);[(E)-[6-ethyl-9-(2-methylbenzoyl)-3-oxo-1H-cyclopenta[c]carbazol-2-ylidene]amino] acetate;[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxo-1,2-dihydrobenzo[c]carbazol-3-ylidene]amino] acetate;[(E)-[18-ethyl-14-(4-morpholin-4-ylbenzoyl)-8-oxo-4-oxa-18-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-7-ylidene]amino] acetate
CID 172988607
[(Z)-(9-acetyl-6-ethyl-3-iminofuro[3,2-c]carbazol-2-ylidene)amino] acetate
CID 172916588
ethane;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 144561442

Frequently Asked Questions

What is the IUPAC name of [(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate?
The IUPAC name of [(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate (CID 58490074) is [(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate.
What is the SMILES notation for [(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate?
The canonical SMILES for [(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate is CCn1c2ccc(C(=O)c3ccccc3)cc2c2cc3c(cc21)O/C(=N\OC(C)=O)C3=O.
What is the InChIKey of [(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate?
The InChIKey is YJFSNFUGWNLAGS-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H18N2O5/c1-3-27-20-10-9-16(23(29)15-7-5-4-6-8-15)11-17(20)18-12-19-22(13-21(18)27)31-25(24(19)30)26-32-14(2)28/h4-13H,3H2,1-2H3/b26-25-.
What are the key properties of [(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate?
[(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate has a molecular weight of 426.43 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate is sourced from PubChem (CID 58490074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).