methyl 1-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-pyrido[3,4-b]indole-3-carboxylate

C24H23N3O6 — CID 162654045

IUPACmethyl 1-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOC(=O)c1cc2c([nH]c3ccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc32)c(C)n1
InChIInChI=1S/C24H23N3O6/c1-12-21-16(11-18(25-12)24(29)33-5)15-10-14(6-7-17(15)27-21)26-23(28)13-8-19(30-2)22(32-4)20(9-13)31-3/h6-11,27H,1-5H3,(H,26,28)
InChIKeyFTOOKJHOCCHDNC-UHFFFAOYSA-N
MW449.46 g/mol
LogP4.09
Rot. Bonds6

About methyl 1-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-pyrido[3,4-b]indole-3-carboxylate

methyl 1-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 162654045) has the molecular formula C24H23N3O6 and a molecular weight of 449.46 g/mol. Its IUPAC name is methyl 1-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID162654045
Molecular FormulaC24H23N3O6
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC Namemethyl 1-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOC(=O)c1cc2c([nH]c3ccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc32)c(C)n1
InChIInChI=1S/C24H23N3O6/c1-12-21-16(11-18(25-12)24(29)33-5)15-10-14(6-7-17(15)27-21)26-23(28)13-8-19(30-2)22(32-4)20(9-13)31-3/h6-11,27H,1-5H3,(H,26,28)
InChIKeyFTOOKJHOCCHDNC-UHFFFAOYSA-N
XLogP4.09
TPSA111.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 1-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-pyrido[3,4-b]indole-3-carboxylate with MolForge

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Related Compounds

methyl 6-[(4-tert-butylbenzoyl)amino]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 162666310
N-[5,8-dimethyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-carbazol-3-yl]-3,4,5-trimethoxybenzamide
CID 139222900
ethyl 6-acetamido-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 14268633
N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide
CID 84580880
3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide
CID 15990360
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide
CID 56690013
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 59980667
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 45499103
N-(4-ethynylphenyl)-3,4,5-trimethoxybenzamide
CID 91398084
N-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide
CID 2230182

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of methyl 1-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-pyrido[3,4-b]indole-3-carboxylate (CID 162654045) is methyl 1-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for methyl 1-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-pyrido[3,4-b]indole-3-carboxylate is COC(=O)c1cc2c([nH]c3ccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc32)c(C)n1.
What is the InChIKey of methyl 1-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is FTOOKJHOCCHDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6/c1-12-21-16(11-18(25-12)24(29)33-5)15-10-14(6-7-17(15)27-21)26-23(28)13-8-19(30-2)22(32-4)20(9-13)31-3/h6-11,27H,1-5H3,(H,26,28).
What are the key properties of methyl 1-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-pyrido[3,4-b]indole-3-carboxylate?
methyl 1-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 449.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 162654045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).