methyl 5,6-dimethoxy-3-[(3-methoxybenzoyl)amino]-1H-indole-2-carboxylate

C20H20N2O6 — CID 660254

IUPACmethyl 5,6-dimethoxy-3-[(3-methoxybenzoyl)amino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1cccc(OC)c1
InChIInChI=1S/C20H20N2O6/c1-25-12-7-5-6-11(8-12)19(23)22-17-13-9-15(26-2)16(27-3)10-14(13)21-18(17)20(24)28-4/h5-10,21H,1-4H3,(H,22,23)
InChIKeyUTDXHEHIDDGBFV-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.23
Rot. Bonds6

About methyl 5,6-dimethoxy-3-[(3-methoxybenzoyl)amino]-1H-indole-2-carboxylate

methyl 5,6-dimethoxy-3-[(3-methoxybenzoyl)amino]-1H-indole-2-carboxylate (PubChem CID 660254) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is methyl 5,6-dimethoxy-3-[(3-methoxybenzoyl)amino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-dimethoxy-3-[(3-methoxybenzoyl)amino]-1H-indole-2-carboxylate
PubChem CID660254
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Namemethyl 5,6-dimethoxy-3-[(3-methoxybenzoyl)amino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1cccc(OC)c1
InChIInChI=1S/C20H20N2O6/c1-25-12-7-5-6-11(8-12)19(23)22-17-13-9-15(26-2)16(27-3)10-14(13)21-18(17)20(24)28-4/h5-10,21H,1-4H3,(H,22,23)
InChIKeyUTDXHEHIDDGBFV-UHFFFAOYSA-N
XLogP3.23
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate
CID 946980
N-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide
CID 18367970
N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide
CID 43549420
methyl 3-(3-chlorophenyl)-5,6-dimethoxy-1H-indole-2-carboxylate
CID 11573768
methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749076
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide
CID 18367863
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide
CID 46249095
3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691434
4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832
N-(4-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide
CID 19172117
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-3-methoxybenzamide
CID 42685722
N-[2-(4-bromobenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide
CID 155543225

Frequently Asked Questions

What is the IUPAC name of methyl 5,6-dimethoxy-3-[(3-methoxybenzoyl)amino]-1H-indole-2-carboxylate?
The IUPAC name of methyl 5,6-dimethoxy-3-[(3-methoxybenzoyl)amino]-1H-indole-2-carboxylate (CID 660254) is methyl 5,6-dimethoxy-3-[(3-methoxybenzoyl)amino]-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 5,6-dimethoxy-3-[(3-methoxybenzoyl)amino]-1H-indole-2-carboxylate?
The canonical SMILES for methyl 5,6-dimethoxy-3-[(3-methoxybenzoyl)amino]-1H-indole-2-carboxylate is COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1cccc(OC)c1.
What is the InChIKey of methyl 5,6-dimethoxy-3-[(3-methoxybenzoyl)amino]-1H-indole-2-carboxylate?
The InChIKey is UTDXHEHIDDGBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-25-12-7-5-6-11(8-12)19(23)22-17-13-9-15(26-2)16(27-3)10-14(13)21-18(17)20(24)28-4/h5-10,21H,1-4H3,(H,22,23).
What are the key properties of methyl 5,6-dimethoxy-3-[(3-methoxybenzoyl)amino]-1H-indole-2-carboxylate?
methyl 5,6-dimethoxy-3-[(3-methoxybenzoyl)amino]-1H-indole-2-carboxylate has a molecular weight of 384.39 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-dimethoxy-3-[(3-methoxybenzoyl)amino]-1H-indole-2-carboxylate is sourced from PubChem (CID 660254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).