5-(2-propan-2-yloxyethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C14H22N2O2 — CID 113429600

IUPAC5-(2-propan-2-yloxyethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(C)OCCNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C14H22N2O2/c1-10(2)18-9-8-15-12-4-3-5-13-11(12)6-7-14(17)16-13/h6-7,10,12,15H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyJTAPUMUAMRQNLH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.77
Rot. Bonds5

About 5-(2-propan-2-yloxyethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-(2-propan-2-yloxyethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 113429600) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-(2-propan-2-yloxyethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(2-propan-2-yloxyethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID113429600
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-(2-propan-2-yloxyethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(C)OCCNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C14H22N2O2/c1-10(2)18-9-8-15-12-4-3-5-13-11(12)6-7-14(17)16-13/h6-7,10,12,15H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyJTAPUMUAMRQNLH-UHFFFAOYSA-N
XLogP1.77
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-propan-2-yloxyethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

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Related Compounds

5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108138
5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 22890957
5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 113260561
5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103781006
5-[[2-(dimethylamino)-3-methylbutyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108285
5-(2-methylsulfanylpropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 113349035
5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81109345
(5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 89053172
5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108578
5-(hex-5-ynylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 113348897
5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81107458
5-[(1-hydroxy-4-methylpentan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81107578

Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-yloxyethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(2-propan-2-yloxyethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 113429600) is 5-(2-propan-2-yloxyethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(2-propan-2-yloxyethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(2-propan-2-yloxyethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is CC(C)OCCNC1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 5-(2-propan-2-yloxyethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is JTAPUMUAMRQNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)18-9-8-15-12-4-3-5-13-11(12)6-7-14(17)16-13/h6-7,10,12,15H,3-5,8-9H2,1-2H3,(H,16,17).
What are the key properties of 5-(2-propan-2-yloxyethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(2-propan-2-yloxyethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 250.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-yloxyethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 113429600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).