ethyl 3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate

C17H22N2O2 — CID 25019202

IUPACethyl 3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate
SMILESCCOC(=O)CCn1c2c(c3ccccc31)CN(C)CC2
InChIInChI=1S/C17H22N2O2/c1-3-21-17(20)9-11-19-15-7-5-4-6-13(15)14-12-18(2)10-8-16(14)19/h4-7H,3,8-12H2,1-2H3
InChIKeyHYRDGIWPNMTJFN-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.58
Rot. Bonds4

About ethyl 3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate

ethyl 3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate (PubChem CID 25019202) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is ethyl 3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate
PubChem CID25019202
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Nameethyl 3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate
SMILESCCOC(=O)CCn1c2c(c3ccccc31)CN(C)CC2
InChIInChI=1S/C17H22N2O2/c1-3-21-17(20)9-11-19-15-7-5-4-6-13(15)14-12-18(2)10-8-16(14)19/h4-7H,3,8-12H2,1-2H3
InChIKeyHYRDGIWPNMTJFN-UHFFFAOYSA-N
XLogP2.58
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate?
The IUPAC name of ethyl 3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate (CID 25019202) is ethyl 3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate.
What is the SMILES notation for ethyl 3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate?
The canonical SMILES for ethyl 3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate is CCOC(=O)CCn1c2c(c3ccccc31)CN(C)CC2.
What is the InChIKey of ethyl 3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate?
The InChIKey is HYRDGIWPNMTJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-21-17(20)9-11-19-15-7-5-4-6-13(15)14-12-18(2)10-8-16(14)19/h4-7H,3,8-12H2,1-2H3.
What are the key properties of ethyl 3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate?
ethyl 3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate has a molecular weight of 286.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanoate is sourced from PubChem (CID 25019202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).