5-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C13H20N2O3 — CID 114094252

IUPAC5-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCOCC(CO)NC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C13H20N2O3/c1-18-8-9(7-16)14-11-3-2-4-12-10(11)5-6-13(17)15-12/h5-6,9,11,14,16H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyPLPQNYAIHGNBST-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.35
Rot. Bonds5

About 5-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 114094252) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID114094252
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCOCC(CO)NC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C13H20N2O3/c1-18-8-9(7-16)14-11-3-2-4-12-10(11)5-6-13(17)15-12/h5-6,9,11,14,16H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyPLPQNYAIHGNBST-UHFFFAOYSA-N
XLogP0.35
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 114094252) is 5-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is COCC(CO)NC1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 5-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is PLPQNYAIHGNBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-18-8-9(7-16)14-11-3-2-4-12-10(11)5-6-13(17)15-12/h5-6,9,11,14,16H,2-4,7-8H2,1H3,(H,15,17).
What are the key properties of 5-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 252.31 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 114094252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).