1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one

C16H18N2O2 — CID 94696788

IUPAC1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one
SMILESO=C1CCCN1CCCOc1ccc2ncccc2c1
InChIInChI=1S/C16H18N2O2/c19-16-5-2-9-18(16)10-3-11-20-14-6-7-15-13(12-14)4-1-8-17-15/h1,4,6-8,12H,2-3,5,9-11H2
InChIKeyGXXCRMIWJRAODR-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.63
Rot. Bonds5

About 1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one

1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one (PubChem CID 94696788) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one
PubChem CID94696788
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one
SMILESO=C1CCCN1CCCOc1ccc2ncccc2c1
InChIInChI=1S/C16H18N2O2/c19-16-5-2-9-18(16)10-3-11-20-14-6-7-15-13(12-14)4-1-8-17-15/h1,4,6-8,12H,2-3,5,9-11H2
InChIKeyGXXCRMIWJRAODR-UHFFFAOYSA-N
XLogP2.63
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
1-[3-(3-aminophenoxy)propyl]pyrrolidin-2-one
CID 43365688
1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one
CID 59174585
1-[2-[3-[4-(quinolin-6-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 129458822
phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
CID 45272100
6-tridecoxyquinoline
CID 174908858
3-[3-(2-oxopiperidin-1-yl)propoxy]benzenecarbothioamide
CID 43290924
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one
CID 82132664
1-[3-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117084800
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
1-[3-[4-(1-methylsulfonylindol-2-yl)phenoxy]propyl]pyrrolidin-2-one
CID 20769455
1-[6-(1,10-phenanthrolin-5-yl)hexyl]pyrrolidin-2-one
CID 139700119

Frequently Asked Questions

What is the IUPAC name of 1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one (CID 94696788) is 1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one is O=C1CCCN1CCCOc1ccc2ncccc2c1.
What is the InChIKey of 1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one?
The InChIKey is GXXCRMIWJRAODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16-5-2-9-18(16)10-3-11-20-14-6-7-15-13(12-14)4-1-8-17-15/h1,4,6-8,12H,2-3,5,9-11H2.
What are the key properties of 1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one?
1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one has a molecular weight of 270.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 94696788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).