2-ethoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide

C12H16N2O2 — CID 3075003

IUPAC2-ethoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCOc1nc2c(cc1C(N)=O)CCCC2
InChIInChI=1S/C12H16N2O2/c1-2-16-12-9(11(13)15)7-8-5-3-4-6-10(8)14-12/h7H,2-6H2,1H3,(H2,13,15)
InChIKeySPOHYSJNADFPJJ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.46
Rot. Bonds3

About 2-ethoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide

2-ethoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 3075003) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-ethoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID3075003
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-ethoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCOc1nc2c(cc1C(N)=O)CCCC2
InChIInChI=1S/C12H16N2O2/c1-2-16-12-9(11(13)15)7-8-5-3-4-6-10(8)14-12/h7H,2-6H2,1H3,(H2,13,15)
InChIKeySPOHYSJNADFPJJ-UHFFFAOYSA-N
XLogP1.46
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2-ethoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 3075003) is 2-ethoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2-ethoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2-ethoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide is CCOc1nc2c(cc1C(N)=O)CCCC2.
What is the InChIKey of 2-ethoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is SPOHYSJNADFPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-16-12-9(11(13)15)7-8-5-3-4-6-10(8)14-12/h7H,2-6H2,1H3,(H2,13,15).
What are the key properties of 2-ethoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide?
2-ethoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 3075003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).