4-chloro-2-methoxy-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide

C23H18ClN3O4 — CID 31863120

IUPAC4-chloro-2-methoxy-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C23H18ClN3O4/c1-31-20-12-14(24)10-11-17(20)23(30)26-25-21(28)13-27-18-8-4-2-6-15(18)22(29)16-7-3-5-9-19(16)27/h2-12H,13H2,1H3,(H,25,28)(H,26,30)
InChIKeySMWVFQPCMYIRGD-UHFFFAOYSA-N
MW435.87 g/mol
LogP3.28
Rot. Bonds4

About 4-chloro-2-methoxy-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide

4-chloro-2-methoxy-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide (PubChem CID 31863120) has the molecular formula C23H18ClN3O4 and a molecular weight of 435.87 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide
PubChem CID31863120
Molecular FormulaC23H18ClN3O4
Molecular Weight435.87 g/mol
Exact Mass435.10
IUPAC Name4-chloro-2-methoxy-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C23H18ClN3O4/c1-31-20-12-14(24)10-11-17(20)23(30)26-25-21(28)13-27-18-8-4-2-6-15(18)22(29)16-7-3-5-9-19(16)27/h2-12H,13H2,1H3,(H,25,28)(H,26,30)
InChIKeySMWVFQPCMYIRGD-UHFFFAOYSA-N
XLogP3.28
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.87
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 29279191
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-9-oxoacridin-10-yl)acetamide
CID 22330285
N'-benzoyl-4-chloro-2-methoxybenzohydrazide
CID 34594179
4-chloro-2-methoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 29281321
1-(3-chlorophenyl)-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]urea
CID 133064039
4-chloro-N'-[2-(2,4-dichlorophenyl)acetyl]-2-methoxybenzohydrazide
CID 31956715
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
4-ethyl-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide
CID 16605618
N-(3-chlorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 15991917
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 21212503
3-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539176
2-(3-chloro-9-oxoacridin-10-yl)-N-(3-chlorophenyl)acetamide
CID 22330394

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide?
The IUPAC name of 4-chloro-2-methoxy-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide (CID 31863120) is 4-chloro-2-methoxy-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-2-methoxy-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide?
The canonical SMILES for 4-chloro-2-methoxy-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide is COc1cc(Cl)ccc1C(=O)NNC(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of 4-chloro-2-methoxy-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide?
The InChIKey is SMWVFQPCMYIRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O4/c1-31-20-12-14(24)10-11-17(20)23(30)26-25-21(28)13-27-18-8-4-2-6-15(18)22(29)16-7-3-5-9-19(16)27/h2-12H,13H2,1H3,(H,25,28)(H,26,30).
What are the key properties of 4-chloro-2-methoxy-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide?
4-chloro-2-methoxy-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide has a molecular weight of 435.87 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide is sourced from PubChem (CID 31863120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).