ethyl 6-acetamido-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate

C17H17N3O3 — CID 14268633

IUPACethyl 6-acetamido-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc2c([nH]c3ccc(NC(C)=O)cc32)c(C)n1
InChIInChI=1S/C17H17N3O3/c1-4-23-17(22)15-8-13-12-7-11(19-10(3)21)5-6-14(12)20-16(13)9(2)18-15/h5-8,20H,4H2,1-3H3,(H,19,21)
InChIKeyZZRFTGRMZAMCDG-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.16
Rot. Bonds3

About ethyl 6-acetamido-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate

ethyl 6-acetamido-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 14268633) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 6-acetamido-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-acetamido-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID14268633
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Nameethyl 6-acetamido-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc2c([nH]c3ccc(NC(C)=O)cc32)c(C)n1
InChIInChI=1S/C17H17N3O3/c1-4-23-17(22)15-8-13-12-7-11(19-10(3)21)5-6-14(12)20-16(13)9(2)18-15/h5-8,20H,4H2,1-3H3,(H,19,21)
InChIKeyZZRFTGRMZAMCDG-UHFFFAOYSA-N
XLogP3.16
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 7-amino-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 14268640
methyl 6-[(4-tert-butylbenzoyl)amino]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 162666310
methyl 1-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 162654045
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
1-O-ethyl 3-O-methyl 9H-pyrido[3,4-b]indole-1,3-dicarboxylate
CID 102040877
ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate
CID 71513334
ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate
CID 165353814
diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
CID 22025388
ethyl 2-(5-acetamido-1H-indol-3-yl)butanoate
CID 102584291
ethyl 1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 50923214
ethyl 4-acetamido-2-aminobenzoate
CID 19006952
ethyl 4-acetamido-2-hydroxybenzoate
CID 11665741

Frequently Asked Questions

What is the IUPAC name of ethyl 6-acetamido-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of ethyl 6-acetamido-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate (CID 14268633) is ethyl 6-acetamido-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 6-acetamido-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for ethyl 6-acetamido-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1cc2c([nH]c3ccc(NC(C)=O)cc32)c(C)n1.
What is the InChIKey of ethyl 6-acetamido-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is ZZRFTGRMZAMCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-4-23-17(22)15-8-13-12-7-11(19-10(3)21)5-6-14(12)20-16(13)9(2)18-15/h5-8,20H,4H2,1-3H3,(H,19,21).
What are the key properties of ethyl 6-acetamido-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
ethyl 6-acetamido-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-acetamido-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 14268633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).