1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one

C12H15NO2 — CID 103935304

IUPAC1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
SMILESC[C@H](O)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C12H15NO2/c1-9(14)8-13-11-5-3-2-4-10(11)6-7-12(13)15/h2-5,9,14H,6-8H2,1H3/t9-/m0/s1
InChIKeyRVMMFIKIXPYMPU-VIFPVBQESA-N
MW205.26 g/mol
LogP1.35
Rot. Bonds2

About 1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one

1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one (PubChem CID 103935304) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
PubChem CID103935304
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
SMILESC[C@H](O)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C12H15NO2/c1-9(14)8-13-11-5-3-2-4-10(11)6-7-12(13)15/h2-5,9,14H,6-8H2,1H3/t9-/m0/s1
InChIKeyRVMMFIKIXPYMPU-VIFPVBQESA-N
XLogP1.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one
CID 115475527
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one
CID 16792075
ethyl 3-hydroxy-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoate
CID 82778791
2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
CID 64583291
1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 103934798
1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one
CID 64865861
1-[2-cyclopropyl-2-(ethylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 63915018
1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 104747147
1-(2-chloroethyl)-3,4-dihydroquinolin-2-one
CID 12992360
1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 43509835
1-(3-hydroxybutyl)-3H-indol-2-one
CID 82239875

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one (CID 103935304) is 1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one is C[C@H](O)CN1C(=O)CCc2ccccc21.
What is the InChIKey of 1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one?
The InChIKey is RVMMFIKIXPYMPU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(14)8-13-11-5-3-2-4-10(11)6-7-12(13)15/h2-5,9,14H,6-8H2,1H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one?
1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 103935304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).