5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C16H27N3O — CID 81109345

IUPAC5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCCN(CC)CCCNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C16H27N3O/c1-3-19(4-2)12-6-11-17-14-7-5-8-15-13(14)9-10-16(20)18-15/h9-10,14,17H,3-8,11-12H2,1-2H3,(H,18,20)
InChIKeyAUIZNFLIMUERTC-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.07
Rot. Bonds7

About 5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 81109345) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID81109345
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCCN(CC)CCCNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C16H27N3O/c1-3-19(4-2)12-6-11-17-14-7-5-8-15-13(14)9-10-16(20)18-15/h9-10,14,17H,3-8,11-12H2,1-2H3,(H,18,20)
InChIKeyAUIZNFLIMUERTC-UHFFFAOYSA-N
XLogP2.07
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 81109345) is 5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is CCN(CC)CCCNC1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is AUIZNFLIMUERTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-19(4-2)12-6-11-17-14-7-5-8-15-13(14)9-10-16(20)18-15/h9-10,14,17H,3-8,11-12H2,1-2H3,(H,18,20).
What are the key properties of 5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 277.41 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 81109345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).