methyl 4-amino-9-(2-methoxy-2-oxoethyl)-2-methylpyrido[2,3-b]indole-3-carboxylate

C17H17N3O4 — CID 44522834

IUPACmethyl 4-amino-9-(2-methoxy-2-oxoethyl)-2-methylpyrido[2,3-b]indole-3-carboxylate
SMILESCOC(=O)Cn1c2ccccc2c2c(N)c(C(=O)OC)c(C)nc21
InChIInChI=1S/C17H17N3O4/c1-9-13(17(22)24-3)15(18)14-10-6-4-5-7-11(10)20(16(14)19-9)8-12(21)23-2/h4-7H,8H2,1-3H3,(H2,18,19)
InChIKeyLKTYIGJOKADDMH-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.04
Rot. Bonds3

About methyl 4-amino-9-(2-methoxy-2-oxoethyl)-2-methylpyrido[2,3-b]indole-3-carboxylate

methyl 4-amino-9-(2-methoxy-2-oxoethyl)-2-methylpyrido[2,3-b]indole-3-carboxylate (PubChem CID 44522834) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is methyl 4-amino-9-(2-methoxy-2-oxoethyl)-2-methylpyrido[2,3-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-9-(2-methoxy-2-oxoethyl)-2-methylpyrido[2,3-b]indole-3-carboxylate
PubChem CID44522834
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Namemethyl 4-amino-9-(2-methoxy-2-oxoethyl)-2-methylpyrido[2,3-b]indole-3-carboxylate
SMILESCOC(=O)Cn1c2ccccc2c2c(N)c(C(=O)OC)c(C)nc21
InChIInChI=1S/C17H17N3O4/c1-9-13(17(22)24-3)15(18)14-10-6-4-5-7-11(10)20(16(14)19-9)8-12(21)23-2/h4-7H,8H2,1-3H3,(H2,18,19)
InChIKeyLKTYIGJOKADDMH-UHFFFAOYSA-N
XLogP2.04
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-9-(2-methoxy-2-oxoethyl)-2-methylpyrido[2,3-b]indole-3-carboxylate?
The IUPAC name of methyl 4-amino-9-(2-methoxy-2-oxoethyl)-2-methylpyrido[2,3-b]indole-3-carboxylate (CID 44522834) is methyl 4-amino-9-(2-methoxy-2-oxoethyl)-2-methylpyrido[2,3-b]indole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-9-(2-methoxy-2-oxoethyl)-2-methylpyrido[2,3-b]indole-3-carboxylate?
The canonical SMILES for methyl 4-amino-9-(2-methoxy-2-oxoethyl)-2-methylpyrido[2,3-b]indole-3-carboxylate is COC(=O)Cn1c2ccccc2c2c(N)c(C(=O)OC)c(C)nc21.
What is the InChIKey of methyl 4-amino-9-(2-methoxy-2-oxoethyl)-2-methylpyrido[2,3-b]indole-3-carboxylate?
The InChIKey is LKTYIGJOKADDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-9-13(17(22)24-3)15(18)14-10-6-4-5-7-11(10)20(16(14)19-9)8-12(21)23-2/h4-7H,8H2,1-3H3,(H2,18,19).
What are the key properties of methyl 4-amino-9-(2-methoxy-2-oxoethyl)-2-methylpyrido[2,3-b]indole-3-carboxylate?
methyl 4-amino-9-(2-methoxy-2-oxoethyl)-2-methylpyrido[2,3-b]indole-3-carboxylate has a molecular weight of 327.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-9-(2-methoxy-2-oxoethyl)-2-methylpyrido[2,3-b]indole-3-carboxylate is sourced from PubChem (CID 44522834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).