3-(3-propoxypropyl)-1H-quinolin-2-one

C15H19NO2 — CID 141362914

IUPAC3-(3-propoxypropyl)-1H-quinolin-2-one
SMILESCCCOCCCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C15H19NO2/c1-2-9-18-10-5-7-13-11-12-6-3-4-8-14(12)16-15(13)17/h3-4,6,8,11H,2,5,7,9-10H2,1H3,(H,16,17)
InChIKeyDCKNGKJZVZFYAD-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.89
Rot. Bonds6

About 3-(3-propoxypropyl)-1H-quinolin-2-one

3-(3-propoxypropyl)-1H-quinolin-2-one (PubChem CID 141362914) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(3-propoxypropyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(3-propoxypropyl)-1H-quinolin-2-one
PubChem CID141362914
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-(3-propoxypropyl)-1H-quinolin-2-one
SMILESCCCOCCCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C15H19NO2/c1-2-9-18-10-5-7-13-11-12-6-3-4-8-14(12)16-15(13)17/h3-4,6,8,11H,2,5,7,9-10H2,1H3,(H,16,17)
InChIKeyDCKNGKJZVZFYAD-UHFFFAOYSA-N
XLogP2.89
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(10-pentoxydecyl)-1H-quinolin-2-one
CID 139729721
hexyl 2-(2-oxo-1H-quinolin-3-yl)acetate
CID 102076314
butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 2014669
(2-oxo-1H-quinolin-3-yl)methyl pentanoate
CID 17101124
7-ethyl-3-hexyl-1H-quinolin-2-one
CID 70425300
3-ethyl-1H-quinoline-2-thione
CID 1445305
3-butyl-8-hydroxy-1H-quinolin-2-one
CID 160626954
3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110355917
3-(3-propoxypropylamino)-2H-isoquinolin-1-one
CID 82944648
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 3159257
3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one
CID 82712733
4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 110325662

Frequently Asked Questions

What is the IUPAC name of 3-(3-propoxypropyl)-1H-quinolin-2-one?
The IUPAC name of 3-(3-propoxypropyl)-1H-quinolin-2-one (CID 141362914) is 3-(3-propoxypropyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(3-propoxypropyl)-1H-quinolin-2-one?
The canonical SMILES for 3-(3-propoxypropyl)-1H-quinolin-2-one is CCCOCCCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-(3-propoxypropyl)-1H-quinolin-2-one?
The InChIKey is DCKNGKJZVZFYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-9-18-10-5-7-13-11-12-6-3-4-8-14(12)16-15(13)17/h3-4,6,8,11H,2,5,7,9-10H2,1H3,(H,16,17).
What are the key properties of 3-(3-propoxypropyl)-1H-quinolin-2-one?
3-(3-propoxypropyl)-1H-quinolin-2-one has a molecular weight of 245.32 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propoxypropyl)-1H-quinolin-2-one is sourced from PubChem (CID 141362914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).