2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)-N-methoxyacetamide;O-methylhydroxylamine;hydrochloride

C36H37Cl3N4O9 — CID 159639466

IUPAC2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)-N-methoxyacetamide;O-methylhydroxylamine;hydrochloride
SMILESCON.CONC(=O)Cn1c2cc(C)ccc2c(=O)c2ccc(Cl)c(OC)c21.COc1c(Cl)ccc2c(=O)c3ccc(C)cc3n(CC(=O)O)c12.Cl
InChIInChI=1S/C18H17ClN2O4.C17H14ClNO4.CH5NO.ClH/c1-10-4-5-11-14(8-10)21(9-15(22)20-25-3)16-12(17(11)23)6-7-13(19)18(16)24-2;1-9-3-4-10-13(7-9)19(8-14(20)21)15-11(16(10)22)5-6-12(18)17(15)23-2;1-3-2;/h4-8H,9H2,1-3H3,(H,20,22);3-7H,8H2,1-2H3,(H,20,21);2H2,1H3;1H
InChIKeyOJWKPBNLORUUDI-UHFFFAOYSA-N
MW776.07 g/mol
LogP5.94
Rot. Bonds7

About 2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)-N-methoxyacetamide;O-methylhydroxylamine;hydrochloride

2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)-N-methoxyacetamide;O-methylhydroxylamine;hydrochloride (PubChem CID 159639466) has the molecular formula C36H37Cl3N4O9 and a molecular weight of 776.07 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)-N-methoxyacetamide;O-methylhydroxylamine;hydrochloride.

Molecular Properties

Compound Name2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)-N-methoxyacetamide;O-methylhydroxylamine;hydrochloride
PubChem CID159639466
Molecular FormulaC36H37Cl3N4O9
Molecular Weight776.07 g/mol
Exact Mass774.16
IUPAC Name2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)-N-methoxyacetamide;O-methylhydroxylamine;hydrochloride
SMILESCON.CONC(=O)Cn1c2cc(C)ccc2c(=O)c2ccc(Cl)c(OC)c21.COc1c(Cl)ccc2c(=O)c3ccc(C)cc3n(CC(=O)O)c12.Cl
InChIInChI=1S/C18H17ClN2O4.C17H14ClNO4.CH5NO.ClH/c1-10-4-5-11-14(8-10)21(9-15(22)20-25-3)16-12(17(11)23)6-7-13(19)18(16)24-2;1-9-3-4-10-13(7-9)19(8-14(20)21)15-11(16(10)22)5-6-12(18)17(15)23-2;1-3-2;/h4-8H,9H2,1-3H3,(H,20,22);3-7H,8H2,1-2H3,(H,20,21);2H2,1H3;1H
InChIKeyOJWKPBNLORUUDI-UHFFFAOYSA-N
XLogP5.94
TPSA173.34 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500776.07
LogP ≤ 55.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)-N-methoxyacetamide;O-methylhydroxylamine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)-N-methoxyacetamide;O-methylhydroxylamine;hydrochloride?
The IUPAC name of 2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)-N-methoxyacetamide;O-methylhydroxylamine;hydrochloride (CID 159639466) is 2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)-N-methoxyacetamide;O-methylhydroxylamine;hydrochloride.
What is the SMILES notation for 2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)-N-methoxyacetamide;O-methylhydroxylamine;hydrochloride?
The canonical SMILES for 2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)-N-methoxyacetamide;O-methylhydroxylamine;hydrochloride is CON.CONC(=O)Cn1c2cc(C)ccc2c(=O)c2ccc(Cl)c(OC)c21.COc1c(Cl)ccc2c(=O)c3ccc(C)cc3n(CC(=O)O)c12.Cl.
What is the InChIKey of 2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)-N-methoxyacetamide;O-methylhydroxylamine;hydrochloride?
The InChIKey is OJWKPBNLORUUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4.C17H14ClNO4.CH5NO.ClH/c1-10-4-5-11-14(8-10)21(9-15(22)20-25-3)16-12(17(11)23)6-7-13(19)18(16)24-2;1-9-3-4-10-13(7-9)19(8-14(20)21)15-11(16(10)22)5-6-12(18)17(15)23-2;1-3-2;/h4-8H,9H2,1-3H3,(H,20,22);3-7H,8H2,1-2H3,(H,20,21);2H2,1H3;1H.
What are the key properties of 2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)-N-methoxyacetamide;O-methylhydroxylamine;hydrochloride?
2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)-N-methoxyacetamide;O-methylhydroxylamine;hydrochloride has a molecular weight of 776.07 g/mol, XLogP of 5.94, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)-N-methoxyacetamide;O-methylhydroxylamine;hydrochloride is sourced from PubChem (CID 159639466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).