[4-[9-ethyl-6-[(2E)-2-methoxyiminopropanoyl]carbazole-3-carbonyl]phenyl] acetate

C27H24N2O5 — CID 156846403

IUPAC[4-[9-ethyl-6-[(2E)-2-methoxyiminopropanoyl]carbazole-3-carbonyl]phenyl] acetate
SMILESCCn1c2ccc(C(=O)/C(C)=N/OC)cc2c2cc(C(=O)c3ccc(OC(C)=O)cc3)ccc21
InChIInChI=1S/C27H24N2O5/c1-5-29-24-12-8-19(26(31)16(2)28-33-4)14-22(24)23-15-20(9-13-25(23)29)27(32)18-6-10-21(11-7-18)34-17(3)30/h6-15H,5H2,1-4H3/b28-16+
InChIKeyBHHHVOXDYABHMK-LQKURTRISA-N
MW456.50 g/mol
LogP5.18
Rot. Bonds7

About [4-[9-ethyl-6-[(2E)-2-methoxyiminopropanoyl]carbazole-3-carbonyl]phenyl] acetate

[4-[9-ethyl-6-[(2E)-2-methoxyiminopropanoyl]carbazole-3-carbonyl]phenyl] acetate (PubChem CID 156846403) has the molecular formula C27H24N2O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is [4-[9-ethyl-6-[(2E)-2-methoxyiminopropanoyl]carbazole-3-carbonyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[9-ethyl-6-[(2E)-2-methoxyiminopropanoyl]carbazole-3-carbonyl]phenyl] acetate
PubChem CID156846403
Molecular FormulaC27H24N2O5
Molecular Weight456.50 g/mol
Exact Mass456.17
IUPAC Name[4-[9-ethyl-6-[(2E)-2-methoxyiminopropanoyl]carbazole-3-carbonyl]phenyl] acetate
SMILESCCn1c2ccc(C(=O)/C(C)=N/OC)cc2c2cc(C(=O)c3ccc(OC(C)=O)cc3)ccc21
InChIInChI=1S/C27H24N2O5/c1-5-29-24-12-8-19(26(31)16(2)28-33-4)14-22(24)23-15-20(9-13-25(23)29)27(32)18-6-10-21(11-7-18)34-17(3)30/h6-15H,5H2,1-4H3/b28-16+
InChIKeyBHHHVOXDYABHMK-LQKURTRISA-N
XLogP5.18
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.50
LogP ≤ 55.18
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[9-ethyl-6-[(2E)-2-methoxyiminopropanoyl]carbazole-3-carbonyl]phenyl] acetate with MolForge

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

Launch Full Analysis

Related Compounds

[4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate
CID 156846404
[4-[9-ethyl-6-[(2E)-2-methoxyiminohex-5-enoyl]carbazole-3-carbonyl]phenyl] acetate
CID 166731432
[4-[6-[(2E)-2-acetyloxyiminooctanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate
CID 156846362
ethyl [4-(9-ethyl-6-methylcarbazole-3-carbonyl)phenyl] carbonate
CID 166731435
[4-[9-ethyl-6-[(2E)-2-hydroxyiminoheptanoyl]carbazole-3-carbonyl]phenyl] heptanoate
CID 168727814
[4-[(2Z)-2-acetyloxyimino-6-ethyl-3-oxofuro[3,2-c]carbazole-9-carbonyl]phenyl] acetate
CID 58490017
[4-[6-[(2E)-2-acetyloxyiminooctanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] thiophene-2-carboxylate
CID 156846309
ethyl [4-(9-ethyl-6-hexanoylcarbazole-3-carbonyl)phenyl] carbonate
CID 168727823
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
CID 622083
1-[6-(4-butoxybenzoyl)-9-ethylcarbazol-3-yl]heptan-1-one
CID 156846255
[1-(6-benzoyl-9-ethylcarbazol-3-yl)decylideneamino] acetate
CID 123957224
1-[9-ethyl-6-[4-(hydroxymethoxy)benzoyl]carbazol-3-yl]hexan-1-one
CID 166731440

Frequently Asked Questions

What is the IUPAC name of [4-[9-ethyl-6-[(2E)-2-methoxyiminopropanoyl]carbazole-3-carbonyl]phenyl] acetate?
The IUPAC name of [4-[9-ethyl-6-[(2E)-2-methoxyiminopropanoyl]carbazole-3-carbonyl]phenyl] acetate (CID 156846403) is [4-[9-ethyl-6-[(2E)-2-methoxyiminopropanoyl]carbazole-3-carbonyl]phenyl] acetate.
What is the SMILES notation for [4-[9-ethyl-6-[(2E)-2-methoxyiminopropanoyl]carbazole-3-carbonyl]phenyl] acetate?
The canonical SMILES for [4-[9-ethyl-6-[(2E)-2-methoxyiminopropanoyl]carbazole-3-carbonyl]phenyl] acetate is CCn1c2ccc(C(=O)/C(C)=N/OC)cc2c2cc(C(=O)c3ccc(OC(C)=O)cc3)ccc21.
What is the InChIKey of [4-[9-ethyl-6-[(2E)-2-methoxyiminopropanoyl]carbazole-3-carbonyl]phenyl] acetate?
The InChIKey is BHHHVOXDYABHMK-LQKURTRISA-N. The full InChI is InChI=1S/C27H24N2O5/c1-5-29-24-12-8-19(26(31)16(2)28-33-4)14-22(24)23-15-20(9-13-25(23)29)27(32)18-6-10-21(11-7-18)34-17(3)30/h6-15H,5H2,1-4H3/b28-16+.
What are the key properties of [4-[9-ethyl-6-[(2E)-2-methoxyiminopropanoyl]carbazole-3-carbonyl]phenyl] acetate?
[4-[9-ethyl-6-[(2E)-2-methoxyiminopropanoyl]carbazole-3-carbonyl]phenyl] acetate has a molecular weight of 456.50 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[9-ethyl-6-[(2E)-2-methoxyiminopropanoyl]carbazole-3-carbonyl]phenyl] acetate is sourced from PubChem (CID 156846403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).