3-[1-(2,3-dihydroxypropylamino)ethyl]-1-ethyl-4-hydroxyquinolin-2-one

C16H22N2O4 — CID 54694031

IUPAC3-[1-(2,3-dihydroxypropylamino)ethyl]-1-ethyl-4-hydroxyquinolin-2-one
SMILESCCn1c(=O)c(C(C)NCC(O)CO)c(O)c2ccccc21
InChIInChI=1S/C16H22N2O4/c1-3-18-13-7-5-4-6-12(13)15(21)14(16(18)22)10(2)17-8-11(20)9-19/h4-7,10-11,17,19-21H,3,8-9H2,1-2H3
InChIKeyVTYDERIPTXLLPL-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.73
Rot. Bonds6

About 3-[1-(2,3-dihydroxypropylamino)ethyl]-1-ethyl-4-hydroxyquinolin-2-one

3-[1-(2,3-dihydroxypropylamino)ethyl]-1-ethyl-4-hydroxyquinolin-2-one (PubChem CID 54694031) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-[1-(2,3-dihydroxypropylamino)ethyl]-1-ethyl-4-hydroxyquinolin-2-one.

Molecular Properties

Compound Name3-[1-(2,3-dihydroxypropylamino)ethyl]-1-ethyl-4-hydroxyquinolin-2-one
PubChem CID54694031
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name3-[1-(2,3-dihydroxypropylamino)ethyl]-1-ethyl-4-hydroxyquinolin-2-one
SMILESCCn1c(=O)c(C(C)NCC(O)CO)c(O)c2ccccc21
InChIInChI=1S/C16H22N2O4/c1-3-18-13-7-5-4-6-12(13)15(21)14(16(18)22)10(2)17-8-11(20)9-19/h4-7,10-11,17,19-21H,3,8-9H2,1-2H3
InChIKeyVTYDERIPTXLLPL-UHFFFAOYSA-N
XLogP0.73
TPSA94.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-carbazol-9-yl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 2368013
1-carbazol-9-yl-3-(1-phenylethylamino)propan-2-ol
CID 3635355
(2S)-2-[[(2R)-3-carbazol-9-yl-2-hydroxypropyl]amino]butan-1-ol
CID 962217
2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol
CID 6710542
1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 136671574
1-ethyl-3-[(E)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 135679488
1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride
CID 54686774
methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54679619
[(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea
CID 135510232
[(E)-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea
CID 135685377
N-[2-(dimethylamino)ethyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride
CID 54736678
3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol
CID 60632523

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydroxypropylamino)ethyl]-1-ethyl-4-hydroxyquinolin-2-one?
The IUPAC name of 3-[1-(2,3-dihydroxypropylamino)ethyl]-1-ethyl-4-hydroxyquinolin-2-one (CID 54694031) is 3-[1-(2,3-dihydroxypropylamino)ethyl]-1-ethyl-4-hydroxyquinolin-2-one.
What is the SMILES notation for 3-[1-(2,3-dihydroxypropylamino)ethyl]-1-ethyl-4-hydroxyquinolin-2-one?
The canonical SMILES for 3-[1-(2,3-dihydroxypropylamino)ethyl]-1-ethyl-4-hydroxyquinolin-2-one is CCn1c(=O)c(C(C)NCC(O)CO)c(O)c2ccccc21.
What is the InChIKey of 3-[1-(2,3-dihydroxypropylamino)ethyl]-1-ethyl-4-hydroxyquinolin-2-one?
The InChIKey is VTYDERIPTXLLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-18-13-7-5-4-6-12(13)15(21)14(16(18)22)10(2)17-8-11(20)9-19/h4-7,10-11,17,19-21H,3,8-9H2,1-2H3.
What are the key properties of 3-[1-(2,3-dihydroxypropylamino)ethyl]-1-ethyl-4-hydroxyquinolin-2-one?
3-[1-(2,3-dihydroxypropylamino)ethyl]-1-ethyl-4-hydroxyquinolin-2-one has a molecular weight of 306.36 g/mol, XLogP of 0.73, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydroxypropylamino)ethyl]-1-ethyl-4-hydroxyquinolin-2-one is sourced from PubChem (CID 54694031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).