N-hydroxy-4-[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide

C24H19NO7 — CID 163133949

IUPACN-hydroxy-4-[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide
SMILESCOc1ccc(-c2c(C)oc3cc(OC(=O)c4ccc([NH+]([O-])O)cc4)ccc3c2=O)cc1
InChIInChI=1S/C24H19NO7/c1-14-22(15-5-9-18(30-2)10-6-15)23(26)20-12-11-19(13-21(20)31-14)32-24(27)16-3-7-17(8-4-16)25(28)29/h3-13,25,28H,1-2H3
InChIKeyHFNQRURKYGYFCN-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.40
Rot. Bonds5

About N-hydroxy-4-[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide

N-hydroxy-4-[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide (PubChem CID 163133949) has the molecular formula C24H19NO7 and a molecular weight of 433.42 g/mol. Its IUPAC name is N-hydroxy-4-[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-4-[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide
PubChem CID163133949
Molecular FormulaC24H19NO7
Molecular Weight433.42 g/mol
Exact Mass433.12
IUPAC NameN-hydroxy-4-[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide
SMILESCOc1ccc(-c2c(C)oc3cc(OC(=O)c4ccc([NH+]([O-])O)cc4)ccc3c2=O)cc1
InChIInChI=1S/C24H19NO7/c1-14-22(15-5-9-18(30-2)10-6-15)23(26)20-12-11-19(13-21(20)31-14)32-24(27)16-3-7-17(8-4-16)25(28)29/h3-13,25,28H,1-2H3
InChIKeyHFNQRURKYGYFCN-UHFFFAOYSA-N
XLogP3.40
TPSA113.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-hydroxy-4-[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide with MolForge

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

Launch Full Analysis

Related Compounds

N-hydroxy-4-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide
CID 163172406
[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl] 4-tert-butylbenzoate
CID 2013877
[3-(2-methoxyphenyl)-2-methyl-4-oxochromen-7-yl] 4-methylbenzoate
CID 2936402
[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl] 4-chlorobenzoate
CID 44963557
[3-(4-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl] 4-[hydroxy(oxido)amino]benzoate
CID 163152229
4-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxycarbonyl-N-hydroxybenzeneamine oxide
CID 163130752
3-[3-(3,4-dimethoxyphenyl)-2-ethoxycarbonyl-4-oxochromen-7-yl]oxycarbonyl-N-hydroxybenzeneamine oxide
CID 163128837
3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
CID 1301143
N-hydroxy-4-[[3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide
CID 163141415
[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl] 2-chlorobenzoate
CID 2014694
6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one
CID 13443565
[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl] 2-bromobenzoate
CID 2004132

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide?
The IUPAC name of N-hydroxy-4-[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide (CID 163133949) is N-hydroxy-4-[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide.
What is the SMILES notation for N-hydroxy-4-[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide?
The canonical SMILES for N-hydroxy-4-[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide is COc1ccc(-c2c(C)oc3cc(OC(=O)c4ccc([NH+]([O-])O)cc4)ccc3c2=O)cc1.
What is the InChIKey of N-hydroxy-4-[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide?
The InChIKey is HFNQRURKYGYFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO7/c1-14-22(15-5-9-18(30-2)10-6-15)23(26)20-12-11-19(13-21(20)31-14)32-24(27)16-3-7-17(8-4-16)25(28)29/h3-13,25,28H,1-2H3.
What are the key properties of N-hydroxy-4-[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide?
N-hydroxy-4-[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide has a molecular weight of 433.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide is sourced from PubChem (CID 163133949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).