ethyl 5-(methylamino)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-1-carboxylate

C17H20N2O2 — CID 70624082

IUPACethyl 5-(methylamino)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-1-carboxylate
SMILESCCOC(=O)C1NCCc2c1cc1ccccc1c2NC
InChIInChI=1S/C17H20N2O2/c1-3-21-17(20)16-14-10-11-6-4-5-7-12(11)15(18-2)13(14)8-9-19-16/h4-7,10,16,18-19H,3,8-9H2,1-2H3
InChIKeyIYKYSYVZISBZOL-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.63
Rot. Bonds3

About ethyl 5-(methylamino)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-1-carboxylate

ethyl 5-(methylamino)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-1-carboxylate (PubChem CID 70624082) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 5-(methylamino)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-(methylamino)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-1-carboxylate
PubChem CID70624082
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nameethyl 5-(methylamino)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-1-carboxylate
SMILESCCOC(=O)C1NCCc2c1cc1ccccc1c2NC
InChIInChI=1S/C17H20N2O2/c1-3-21-17(20)16-14-10-11-6-4-5-7-12(11)15(18-2)13(14)8-9-19-16/h4-7,10,16,18-19H,3,8-9H2,1-2H3
InChIKeyIYKYSYVZISBZOL-UHFFFAOYSA-N
XLogP2.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(methylamino)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-1-carboxylate?
The IUPAC name of ethyl 5-(methylamino)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-1-carboxylate (CID 70624082) is ethyl 5-(methylamino)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-1-carboxylate.
What is the SMILES notation for ethyl 5-(methylamino)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-1-carboxylate?
The canonical SMILES for ethyl 5-(methylamino)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-1-carboxylate is CCOC(=O)C1NCCc2c1cc1ccccc1c2NC.
What is the InChIKey of ethyl 5-(methylamino)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-1-carboxylate?
The InChIKey is IYKYSYVZISBZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-21-17(20)16-14-10-11-6-4-5-7-12(11)15(18-2)13(14)8-9-19-16/h4-7,10,16,18-19H,3,8-9H2,1-2H3.
What are the key properties of ethyl 5-(methylamino)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-1-carboxylate?
ethyl 5-(methylamino)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-1-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(methylamino)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-1-carboxylate is sourced from PubChem (CID 70624082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).