[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] pentanoate

C30H28N2O5 — CID 58490084

IUPAC[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] pentanoate
SMILESCCCCC(=O)O/N=C1\COc2c(ccc3c2c2cc(C(=O)c4ccccc4C)ccc2n3CC)C1=O
InChIInChI=1S/C30H28N2O5/c1-4-6-11-26(33)37-31-23-17-36-30-21(29(23)35)13-15-25-27(30)22-16-19(12-14-24(22)32(25)5-2)28(34)20-10-8-7-9-18(20)3/h7-10,12-16H,4-6,11,17H2,1-3H3/b31-23+
InChIKeyRJJDXGRWBRMSIU-UQRQXUALSA-N
MW496.56 g/mol
LogP6.02
Rot. Bonds7

About [(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] pentanoate

[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] pentanoate (PubChem CID 58490084) has the molecular formula C30H28N2O5 and a molecular weight of 496.56 g/mol. Its IUPAC name is [(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] pentanoate.

Molecular Properties

Compound Name[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] pentanoate
PubChem CID58490084
Molecular FormulaC30H28N2O5
Molecular Weight496.56 g/mol
Exact Mass496.20
IUPAC Name[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] pentanoate
SMILESCCCCC(=O)O/N=C1\COc2c(ccc3c2c2cc(C(=O)c4ccccc4C)ccc2n3CC)C1=O
InChIInChI=1S/C30H28N2O5/c1-4-6-11-26(33)37-31-23-17-36-30-21(29(23)35)13-15-25-27(30)22-16-19(12-14-24(22)32(25)5-2)28(34)20-10-8-7-9-18(20)3/h7-10,12-16H,4-6,11,17H2,1-3H3/b31-23+
InChIKeyRJJDXGRWBRMSIU-UQRQXUALSA-N
XLogP6.02
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.56
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

[(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] 2-hydroxy-2-methylpropanoate
CID 88591619
[(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] oxolane-2-carboxylate
CID 89105009
[(E)-[12-ethyl-16-(2-methylbenzoyl)-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] 2-methyl-2-[methyl(pentyl)amino]propanoate
CID 88858045
[(E)-[7-ethyl-10-(2-methylbenzoyl)-2,3-dihydropyrano[3,2-c]carbazol-4-ylidene]amino] 2-methylpropanoate
CID 89104999
[(E)-[12-ethyl-16-(2-methylbenzoyl)-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] 4-methylbenzenesulfonate
CID 58489996
[[12-ethyl-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),5,9,13(18),14,16-heptaen-6-yl]amino] benzoate
CID 123790344
[(Z)-[9-(4-bromo-2-methylbenzoyl)-6-ethylfuro[3,2-c]carbazol-3-ylidene]amino] acetate
CID 89104919
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one
CID 144844132
[(E)-[12-ethyl-16-(2-methylbenzoyl)-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] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 88881271
[(Z)-[6-ethyl-9-(pyridine-2-carbonyl)furo[3,2-c]carbazol-3-ylidene]amino] acetate
CID 89104974
[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] acetate
CID 123819915
(6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 141217378

Frequently Asked Questions

What is the IUPAC name of [(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] pentanoate?
The IUPAC name of [(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] pentanoate (CID 58490084) is [(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] pentanoate.
What is the SMILES notation for [(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] pentanoate?
The canonical SMILES for [(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] pentanoate is CCCCC(=O)O/N=C1\COc2c(ccc3c2c2cc(C(=O)c4ccccc4C)ccc2n3CC)C1=O.
What is the InChIKey of [(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] pentanoate?
The InChIKey is RJJDXGRWBRMSIU-UQRQXUALSA-N. The full InChI is InChI=1S/C30H28N2O5/c1-4-6-11-26(33)37-31-23-17-36-30-21(29(23)35)13-15-25-27(30)22-16-19(12-14-24(22)32(25)5-2)28(34)20-10-8-7-9-18(20)3/h7-10,12-16H,4-6,11,17H2,1-3H3/b31-23+.
What are the key properties of [(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] pentanoate?
[(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] pentanoate has a molecular weight of 496.56 g/mol, XLogP of 6.02, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[7-ethyl-10-(2-methylbenzoyl)-4-oxopyrano[3,2-c]carbazol-3-ylidene]amino] pentanoate is sourced from PubChem (CID 58490084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).