[9-ethyl-6-(N-hydroxy-C-methylcarbonimidoyl)carbazol-3-yl]-(2-methyl-4-morpholin-4-ylphenyl)methanone

C28H29N3O3 — CID 150956582

IUPAC[9-ethyl-6-(N-hydroxy-C-methylcarbonimidoyl)carbazol-3-yl]-(2-methyl-4-morpholin-4-ylphenyl)methanone
SMILESCCn1c2ccc(C(=O)c3ccc(N4CCOCC4)cc3C)cc2c2cc(C(C)=NO)ccc21
InChIInChI=1S/C28H29N3O3/c1-4-31-26-9-5-20(19(3)29-33)16-24(26)25-17-21(6-10-27(25)31)28(32)23-8-7-22(15-18(23)2)30-11-13-34-14-12-30/h5-10,15-17,33H,4,11-14H2,1-3H3
InChIKeyLLFDNEMPFDYBHV-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.39
Rot. Bonds5

About [9-ethyl-6-(N-hydroxy-C-methylcarbonimidoyl)carbazol-3-yl]-(2-methyl-4-morpholin-4-ylphenyl)methanone

[9-ethyl-6-(N-hydroxy-C-methylcarbonimidoyl)carbazol-3-yl]-(2-methyl-4-morpholin-4-ylphenyl)methanone (PubChem CID 150956582) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is [9-ethyl-6-(N-hydroxy-C-methylcarbonimidoyl)carbazol-3-yl]-(2-methyl-4-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[9-ethyl-6-(N-hydroxy-C-methylcarbonimidoyl)carbazol-3-yl]-(2-methyl-4-morpholin-4-ylphenyl)methanone
PubChem CID150956582
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name[9-ethyl-6-(N-hydroxy-C-methylcarbonimidoyl)carbazol-3-yl]-(2-methyl-4-morpholin-4-ylphenyl)methanone
SMILESCCn1c2ccc(C(=O)c3ccc(N4CCOCC4)cc3C)cc2c2cc(C(C)=NO)ccc21
InChIInChI=1S/C28H29N3O3/c1-4-31-26-9-5-20(19(3)29-33)16-24(26)25-17-21(6-10-27(25)31)28(32)23-8-7-22(15-18(23)2)30-11-13-34-14-12-30/h5-10,15-17,33H,4,11-14H2,1-3H3
InChIKeyLLFDNEMPFDYBHV-UHFFFAOYSA-N
XLogP5.39
TPSA67.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(2,6-dimethylmorpholin-4-yl)phenyl]-[9-ethyl-6-(N-hydroxy-C-methylcarbonimidoyl)carbazol-3-yl]methanone
CID 89041714
[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methyl-2-morpholin-4-ylpropanoate
CID 123404733
[(Z)-1-[6-(2,4-dimethylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate
CID 91545614
benzyl (4E)-4-acetyloxyimino-5-[6-(2,4-dimorpholin-4-ylbenzoyl)-9-ethylcarbazol-3-yl]-5-oxopentanoate
CID 172945382
1-[9-ethyl-6-(4-fluoro-2-methylbenzoyl)carbazol-3-yl]ethanone
CID 59012247
ethane;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 144561442
[9-ethyl-6-[(E)-N-hydroxy-C-propylcarbonimidoyl]carbazol-3-yl]-(2-methylphenyl)methanone
CID 155166271
[4-[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino]oxy-3-methyl-3-morpholin-4-yl-4-oxobutyl] benzoate
CID 88591688
[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-morpholin-4-ylpropanoate
CID 123642792
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 4-azabicyclo[5.1.0]octane-4-carboxylate
CID 172917665
4-(4-ethyl-3-methylphenyl)morpholine
CID 71052308

Frequently Asked Questions

What is the IUPAC name of [9-ethyl-6-(N-hydroxy-C-methylcarbonimidoyl)carbazol-3-yl]-(2-methyl-4-morpholin-4-ylphenyl)methanone?
The IUPAC name of [9-ethyl-6-(N-hydroxy-C-methylcarbonimidoyl)carbazol-3-yl]-(2-methyl-4-morpholin-4-ylphenyl)methanone (CID 150956582) is [9-ethyl-6-(N-hydroxy-C-methylcarbonimidoyl)carbazol-3-yl]-(2-methyl-4-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for [9-ethyl-6-(N-hydroxy-C-methylcarbonimidoyl)carbazol-3-yl]-(2-methyl-4-morpholin-4-ylphenyl)methanone?
The canonical SMILES for [9-ethyl-6-(N-hydroxy-C-methylcarbonimidoyl)carbazol-3-yl]-(2-methyl-4-morpholin-4-ylphenyl)methanone is CCn1c2ccc(C(=O)c3ccc(N4CCOCC4)cc3C)cc2c2cc(C(C)=NO)ccc21.
What is the InChIKey of [9-ethyl-6-(N-hydroxy-C-methylcarbonimidoyl)carbazol-3-yl]-(2-methyl-4-morpholin-4-ylphenyl)methanone?
The InChIKey is LLFDNEMPFDYBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-4-31-26-9-5-20(19(3)29-33)16-24(26)25-17-21(6-10-27(25)31)28(32)23-8-7-22(15-18(23)2)30-11-13-34-14-12-30/h5-10,15-17,33H,4,11-14H2,1-3H3.
What are the key properties of [9-ethyl-6-(N-hydroxy-C-methylcarbonimidoyl)carbazol-3-yl]-(2-methyl-4-morpholin-4-ylphenyl)methanone?
[9-ethyl-6-(N-hydroxy-C-methylcarbonimidoyl)carbazol-3-yl]-(2-methyl-4-morpholin-4-ylphenyl)methanone has a molecular weight of 455.56 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-ethyl-6-(N-hydroxy-C-methylcarbonimidoyl)carbazol-3-yl]-(2-methyl-4-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 150956582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).