methyl 6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxoindole-3-carboxylate

C20H19NO6 — CID 46929796

IUPACmethyl 6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxoindole-3-carboxylate
SMILESCOC(=O)c1c2c(n(Cc3ccc(OC)cc3)c1C)C(=O)C(OC)=CC2=O
InChIInChI=1S/C20H19NO6/c1-11-16(20(24)27-4)17-14(22)9-15(26-3)19(23)18(17)21(11)10-12-5-7-13(25-2)8-6-12/h5-9H,10H2,1-4H3
InChIKeyIUVCXHSIISWPIO-UHFFFAOYSA-N
MW369.37 g/mol
LogP2.55
Rot. Bonds5

About methyl 6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxoindole-3-carboxylate

methyl 6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxoindole-3-carboxylate (PubChem CID 46929796) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is methyl 6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxoindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxoindole-3-carboxylate
PubChem CID46929796
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Namemethyl 6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxoindole-3-carboxylate
SMILESCOC(=O)c1c2c(n(Cc3ccc(OC)cc3)c1C)C(=O)C(OC)=CC2=O
InChIInChI=1S/C20H19NO6/c1-11-16(20(24)27-4)17-14(22)9-15(26-3)19(23)18(17)21(11)10-12-5-7-13(25-2)8-6-12/h5-9H,10H2,1-4H3
InChIKeyIUVCXHSIISWPIO-UHFFFAOYSA-N
XLogP2.55
TPSA83.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491446
methyl 4-(2-benzylbenzoyl)-1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxylate
CID 10367314
methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 134360348
methyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
CID 754863
ethyl 3-benzyl-2-methyl-4-oxoindeno[2,1-b]pyrrole-1-carboxylate
CID 14341438
3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 11687421
methyl 4-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxylate
CID 126645833
N-[(3S)-5-methoxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7693221
methyl 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-methoxybenzoate
CID 169227211
6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 57423840
methyl 1-benzyl-4-(4-bromophenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 102498013
5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one
CID 53242336

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxoindole-3-carboxylate?
The IUPAC name of methyl 6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxoindole-3-carboxylate (CID 46929796) is methyl 6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxoindole-3-carboxylate.
What is the SMILES notation for methyl 6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxoindole-3-carboxylate?
The canonical SMILES for methyl 6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxoindole-3-carboxylate is COC(=O)c1c2c(n(Cc3ccc(OC)cc3)c1C)C(=O)C(OC)=CC2=O.
What is the InChIKey of methyl 6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxoindole-3-carboxylate?
The InChIKey is IUVCXHSIISWPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-11-16(20(24)27-4)17-14(22)9-15(26-3)19(23)18(17)21(11)10-12-5-7-13(25-2)8-6-12/h5-9H,10H2,1-4H3.
What are the key properties of methyl 6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxoindole-3-carboxylate?
methyl 6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxoindole-3-carboxylate has a molecular weight of 369.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-4,7-dioxoindole-3-carboxylate is sourced from PubChem (CID 46929796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).