ethyl 6-(dimethylcarbamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate

C18H19N3O3 — CID 13371564

IUPACethyl 6-(dimethylcarbamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3ccc(C(=O)N(C)C)cc3c2c1C
InChIInChI=1S/C18H19N3O3/c1-5-24-18(23)16-10(2)15-12-8-11(17(22)21(3)4)6-7-13(12)20-14(15)9-19-16/h6-9,20H,5H2,1-4H3
InChIKeyNOSWKQSTAKZQLY-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.90
Rot. Bonds3

About ethyl 6-(dimethylcarbamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate

ethyl 6-(dimethylcarbamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 13371564) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl 6-(dimethylcarbamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(dimethylcarbamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID13371564
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Nameethyl 6-(dimethylcarbamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3ccc(C(=O)N(C)C)cc3c2c1C
InChIInChI=1S/C18H19N3O3/c1-5-24-18(23)16-10(2)15-12-8-11(17(22)21(3)4)6-7-13(12)20-14(15)9-19-16/h6-9,20H,5H2,1-4H3
InChIKeyNOSWKQSTAKZQLY-UHFFFAOYSA-N
XLogP2.90
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(dimethylcarbamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of ethyl 6-(dimethylcarbamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate (CID 13371564) is ethyl 6-(dimethylcarbamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 6-(dimethylcarbamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for ethyl 6-(dimethylcarbamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1ncc2[nH]c3ccc(C(=O)N(C)C)cc3c2c1C.
What is the InChIKey of ethyl 6-(dimethylcarbamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is NOSWKQSTAKZQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-5-24-18(23)16-10(2)15-12-8-11(17(22)21(3)4)6-7-13(12)20-14(15)9-19-16/h6-9,20H,5H2,1-4H3.
What are the key properties of ethyl 6-(dimethylcarbamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
ethyl 6-(dimethylcarbamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(dimethylcarbamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 13371564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).