2-[2-(2-methoxyethylamino)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C15H22N4O — CID 83039208

IUPAC2-[2-(2-methoxyethylamino)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOCCNCCNc1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C15H22N4O/c1-20-9-8-17-6-7-18-15-13(11-16)10-12-4-2-3-5-14(12)19-15/h10,17H,2-9H2,1H3,(H,18,19)
InChIKeyKHZGDRPVNRAQMQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.48
Rot. Bonds7

About 2-[2-(2-methoxyethylamino)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[2-(2-methoxyethylamino)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 83039208) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[2-(2-methoxyethylamino)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-methoxyethylamino)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID83039208
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[2-(2-methoxyethylamino)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOCCNCCNc1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C15H22N4O/c1-20-9-8-17-6-7-18-15-13(11-16)10-12-4-2-3-5-14(12)19-15/h10,17H,2-9H2,1H3,(H,18,19)
InChIKeyKHZGDRPVNRAQMQ-UHFFFAOYSA-N
XLogP1.48
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethylamino)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[2-(2-methoxyethylamino)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 83039208) is 2-[2-(2-methoxyethylamino)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[2-(2-methoxyethylamino)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[2-(2-methoxyethylamino)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is COCCNCCNc1nc2c(cc1C#N)CCCC2.
What is the InChIKey of 2-[2-(2-methoxyethylamino)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is KHZGDRPVNRAQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-20-9-8-17-6-7-18-15-13(11-16)10-12-4-2-3-5-14(12)19-15/h10,17H,2-9H2,1H3,(H,18,19).
What are the key properties of 2-[2-(2-methoxyethylamino)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[2-(2-methoxyethylamino)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 274.37 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethylamino)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 83039208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).