1-(3-hydroxypropyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one

C13H20N2O2 — CID 81104281

IUPAC1-(3-hydroxypropyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCNC1CCCc2c1ccc(=O)n2CCCO
InChIInChI=1S/C13H20N2O2/c1-14-11-4-2-5-12-10(11)6-7-13(17)15(12)8-3-9-16/h6-7,11,14,16H,2-5,8-9H2,1H3
InChIKeyJLUWVZRQPKNTTN-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.83
Rot. Bonds4

About 1-(3-hydroxypropyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one

1-(3-hydroxypropyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 81104281) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID81104281
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(3-hydroxypropyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCNC1CCCc2c1ccc(=O)n2CCCO
InChIInChI=1S/C13H20N2O2/c1-14-11-4-2-5-12-10(11)6-7-13(17)15(12)8-3-9-16/h6-7,11,14,16H,2-5,8-9H2,1H3
InChIKeyJLUWVZRQPKNTTN-UHFFFAOYSA-N
XLogP0.83
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-(3-hydroxypropyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one (CID 81104281) is 1-(3-hydroxypropyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-(3-hydroxypropyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-(3-hydroxypropyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one is CNC1CCCc2c1ccc(=O)n2CCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is JLUWVZRQPKNTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-14-11-4-2-5-12-10(11)6-7-13(17)15(12)8-3-9-16/h6-7,11,14,16H,2-5,8-9H2,1H3.
What are the key properties of 1-(3-hydroxypropyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one?
1-(3-hydroxypropyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 236.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 81104281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).