2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

C24H18ClN5O3 — CID 135705574

IUPAC2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c3nc4cc(Cl)ccc4nc32)ccc1O
InChIInChI=1S/C24H18ClN5O3/c1-33-21-10-14(6-9-20(21)31)12-26-29-22(32)13-30-19-5-3-2-4-16(19)23-24(30)28-17-8-7-15(25)11-18(17)27-23/h2-12,31H,13H2,1H3,(H,29,32)/b26-12+
InChIKeyBLYAIPLXVFIBPB-RPPGKUMJSA-N
MW459.89 g/mol
LogP4.26
Rot. Bonds5

About 2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (PubChem CID 135705574) has the molecular formula C24H18ClN5O3 and a molecular weight of 459.89 g/mol. Its IUPAC name is 2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
PubChem CID135705574
Molecular FormulaC24H18ClN5O3
Molecular Weight459.89 g/mol
Exact Mass459.11
IUPAC Name2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c3nc4cc(Cl)ccc4nc32)ccc1O
InChIInChI=1S/C24H18ClN5O3/c1-33-21-10-14(6-9-20(21)31)12-26-29-22(32)13-30-19-5-3-2-4-16(19)23-24(30)28-17-8-7-15(25)11-18(17)27-23/h2-12,31H,13H2,1H3,(H,29,32)/b26-12+
InChIKeyBLYAIPLXVFIBPB-RPPGKUMJSA-N
XLogP4.26
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.89
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 136801937
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 135613980
3-carbazol-9-yl-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135470781
2-(benzimidazol-1-yl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136744917
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136736882
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 21212503
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 2754894
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
CID 135541141
3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135683326
3-(2,3-diphenylindol-1-yl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135704666
N-(2-chlorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 135683659
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3688564

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (CID 135705574) is 2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is COc1cc(/C=N/NC(=O)Cn2c3ccccc3c3nc4cc(Cl)ccc4nc32)ccc1O.
What is the InChIKey of 2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is BLYAIPLXVFIBPB-RPPGKUMJSA-N. The full InChI is InChI=1S/C24H18ClN5O3/c1-33-21-10-14(6-9-20(21)31)12-26-29-22(32)13-30-19-5-3-2-4-16(19)23-24(30)28-17-8-7-15(25)11-18(17)27-23/h2-12,31H,13H2,1H3,(H,29,32)/b26-12+.
What are the key properties of 2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 459.89 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135705574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).