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

C19H21N3O2 — CID 13134028

IUPACethyl 4-methyl-6-pyrrolidin-1-yl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3ccc(N4CCCC4)cc3c2c1C
InChIInChI=1S/C19H21N3O2/c1-3-24-19(23)18-12(2)17-14-10-13(22-8-4-5-9-22)6-7-15(14)21-16(17)11-20-18/h6-7,10-11,21H,3-5,8-9H2,1-2H3
InChIKeyXPXNTNVQAIVOKS-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.80
Rot. Bonds3

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

ethyl 4-methyl-6-pyrrolidin-1-yl-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 13134028) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is ethyl 4-methyl-6-pyrrolidin-1-yl-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-6-pyrrolidin-1-yl-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID13134028
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Nameethyl 4-methyl-6-pyrrolidin-1-yl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3ccc(N4CCCC4)cc3c2c1C
InChIInChI=1S/C19H21N3O2/c1-3-24-19(23)18-12(2)17-14-10-13(22-8-4-5-9-22)6-7-15(14)21-16(17)11-20-18/h6-7,10-11,21H,3-5,8-9H2,1-2H3
InChIKeyXPXNTNVQAIVOKS-UHFFFAOYSA-N
XLogP3.80
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-6-pyrrolidin-1-yl-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of ethyl 4-methyl-6-pyrrolidin-1-yl-9H-pyrido[3,4-b]indole-3-carboxylate (CID 13134028) is ethyl 4-methyl-6-pyrrolidin-1-yl-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 4-methyl-6-pyrrolidin-1-yl-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for ethyl 4-methyl-6-pyrrolidin-1-yl-9H-pyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1ncc2[nH]c3ccc(N4CCCC4)cc3c2c1C.
What is the InChIKey of ethyl 4-methyl-6-pyrrolidin-1-yl-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is XPXNTNVQAIVOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-24-19(23)18-12(2)17-14-10-13(22-8-4-5-9-22)6-7-15(14)21-16(17)11-20-18/h6-7,10-11,21H,3-5,8-9H2,1-2H3.
What are the key properties of ethyl 4-methyl-6-pyrrolidin-1-yl-9H-pyrido[3,4-b]indole-3-carboxylate?
ethyl 4-methyl-6-pyrrolidin-1-yl-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 323.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-6-pyrrolidin-1-yl-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 13134028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).