2-morpholin-4-ylethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate

C20H23N3O4 — CID 18412226

IUPAC2-morpholin-4-ylethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOCc1c(C(=O)OCCN2CCOCC2)ncc2[nH]c3ccccc3c12
InChIInChI=1S/C20H23N3O4/c1-25-13-15-18-14-4-2-3-5-16(14)22-17(18)12-21-19(15)20(24)27-11-8-23-6-9-26-10-7-23/h2-5,12,22H,6-11,13H2,1H3
InChIKeyDAMJPELYQXBINN-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.35
Rot. Bonds6

About 2-morpholin-4-ylethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate

2-morpholin-4-ylethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 18412226) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID18412226
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-morpholin-4-ylethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOCc1c(C(=O)OCCN2CCOCC2)ncc2[nH]c3ccccc3c12
InChIInChI=1S/C20H23N3O4/c1-25-13-15-18-14-4-2-3-5-16(14)22-17(18)12-21-19(15)20(24)27-11-8-23-6-9-26-10-7-23/h2-5,12,22H,6-11,13H2,1H3
InChIKeyDAMJPELYQXBINN-UHFFFAOYSA-N
XLogP2.35
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate (CID 18412226) is 2-morpholin-4-ylethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate is COCc1c(C(=O)OCCN2CCOCC2)ncc2[nH]c3ccccc3c12.
What is the InChIKey of 2-morpholin-4-ylethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is DAMJPELYQXBINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-25-13-15-18-14-4-2-3-5-16(14)22-17(18)12-21-19(15)20(24)27-11-8-23-6-9-26-10-7-23/h2-5,12,22H,6-11,13H2,1H3.
What are the key properties of 2-morpholin-4-ylethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate?
2-morpholin-4-ylethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 18412226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).