[(Z)-[1-chloro-2-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-oxoethylidene]amino] acetate

C26H28ClN3O5 — CID 162463656

IUPAC[(Z)-[1-chloro-2-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-oxoethylidene]amino] acetate
SMILESCCn1c2ccc(C(=O)/C(Cl)=N/OC(C)=O)cc2c2cc(C(=O)C(C)(C)N3CCOCC3)ccc21
InChIInChI=1S/C26H28ClN3O5/c1-5-30-21-8-6-17(23(32)25(27)28-35-16(2)31)14-19(21)20-15-18(7-9-22(20)30)24(33)26(3,4)29-10-12-34-13-11-29/h6-9,14-15H,5,10-13H2,1-4H3/b28-25-
InChIKeyKMNCMTLBEBWIGL-FVDSYPCUSA-N
MW497.98 g/mol
LogP4.41
Rot. Bonds7

About [(Z)-[1-chloro-2-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-oxoethylidene]amino] acetate

[(Z)-[1-chloro-2-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-oxoethylidene]amino] acetate (PubChem CID 162463656) has the molecular formula C26H28ClN3O5 and a molecular weight of 497.98 g/mol. Its IUPAC name is [(Z)-[1-chloro-2-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-oxoethylidene]amino] acetate.

Molecular Properties

Compound Name[(Z)-[1-chloro-2-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-oxoethylidene]amino] acetate
PubChem CID162463656
Molecular FormulaC26H28ClN3O5
Molecular Weight497.98 g/mol
Exact Mass497.17
IUPAC Name[(Z)-[1-chloro-2-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-oxoethylidene]amino] acetate
SMILESCCn1c2ccc(C(=O)/C(Cl)=N/OC(C)=O)cc2c2cc(C(=O)C(C)(C)N3CCOCC3)ccc21
InChIInChI=1S/C26H28ClN3O5/c1-5-30-21-8-6-17(23(32)25(27)28-35-16(2)31)14-19(21)20-15-18(7-9-22(20)30)24(33)26(3,4)29-10-12-34-13-11-29/h6-9,14-15H,5,10-13H2,1-4H3/b28-25-
InChIKeyKMNCMTLBEBWIGL-FVDSYPCUSA-N
XLogP4.41
TPSA90.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.98
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 147279246
2-methyl-1-[6-(2-methyl-2-morpholin-4-ylpropanoyl)-9-octylcarbazol-3-yl]-2-morpholin-4-ylpropan-1-one
CID 4175151
[(E)-[1-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-1-oxo-5-sulfanylpentan-2-ylidene]amino] heptanoate
CID 162463671
[(E)-[1-[1-ethyl-5-(2-methyl-2-morpholin-4-ylpropanoyl)indol-3-yl]-1-oxo-3-piperidin-4-ylpropan-2-ylidene]amino] acetate
CID 162463565
1-[6-benzoyl-9-(2-ethoxyethyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 147554398
(6E)-6-acetyloxyimino-7-[9-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]carbazol-3-yl]-7-oxoheptanoic acid
CID 162463508
[(E)-[1-[6-(2-methyl-2-morpholin-4-ylpropanoyl)-9H-fluoren-3-yl]-1-oxooctan-2-ylidene]amino] acetate
CID 162463529
[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methyl-2-morpholin-4-ylpropanoate
CID 123404733
[(E)-[1-[9-ethyl-6-(2-hydroxy-2-methylpropanoyl)carbazol-3-yl]-1-oxooctan-2-ylidene]amino] acetate
CID 162463660
[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-morpholin-4-ylpropanoate
CID 123642792
[4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate
CID 156846404
[(E)-[3-(2-hydroxycyclohexyl)-1-[4-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylphenyl]-1-oxopropan-2-ylidene]amino] acetate
CID 162463488

Frequently Asked Questions

What is the IUPAC name of [(Z)-[1-chloro-2-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-oxoethylidene]amino] acetate?
The IUPAC name of [(Z)-[1-chloro-2-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-oxoethylidene]amino] acetate (CID 162463656) is [(Z)-[1-chloro-2-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-oxoethylidene]amino] acetate.
What is the SMILES notation for [(Z)-[1-chloro-2-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-oxoethylidene]amino] acetate?
The canonical SMILES for [(Z)-[1-chloro-2-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-oxoethylidene]amino] acetate is CCn1c2ccc(C(=O)/C(Cl)=N/OC(C)=O)cc2c2cc(C(=O)C(C)(C)N3CCOCC3)ccc21.
What is the InChIKey of [(Z)-[1-chloro-2-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-oxoethylidene]amino] acetate?
The InChIKey is KMNCMTLBEBWIGL-FVDSYPCUSA-N. The full InChI is InChI=1S/C26H28ClN3O5/c1-5-30-21-8-6-17(23(32)25(27)28-35-16(2)31)14-19(21)20-15-18(7-9-22(20)30)24(33)26(3,4)29-10-12-34-13-11-29/h6-9,14-15H,5,10-13H2,1-4H3/b28-25-.
What are the key properties of [(Z)-[1-chloro-2-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-oxoethylidene]amino] acetate?
[(Z)-[1-chloro-2-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-oxoethylidene]amino] acetate has a molecular weight of 497.98 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[1-chloro-2-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-oxoethylidene]amino] acetate is sourced from PubChem (CID 162463656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).