1-(6-ethyl-1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one

C18H22N2O — CID 122198636

IUPAC1-(6-ethyl-1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one
SMILESC#CCN1CCC(N2CCCC2=O)c2cc(CC)ccc21
InChIInChI=1S/C18H22N2O/c1-3-10-19-12-9-17(20-11-5-6-18(20)21)15-13-14(4-2)7-8-16(15)19/h1,7-8,13,17H,4-6,9-12H2,2H3
InChIKeyQRSLGUIBSVGZIL-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.76
Rot. Bonds3

About 1-(6-ethyl-1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one

1-(6-ethyl-1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one (PubChem CID 122198636) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(6-ethyl-1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-ethyl-1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one
PubChem CID122198636
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(6-ethyl-1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one
SMILESC#CCN1CCC(N2CCCC2=O)c2cc(CC)ccc21
InChIInChI=1S/C18H22N2O/c1-3-10-19-12-9-17(20-11-5-6-18(20)21)15-13-14(4-2)7-8-16(15)19/h1,7-8,13,17H,4-6,9-12H2,2H3
InChIKeyQRSLGUIBSVGZIL-UHFFFAOYSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Propionyl-1,2,3,4-tetrahydroquinoline
CID 583808
1-[2-(3,4-Dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-pyrrolidine-2,5-dione
CID 775593
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide
CID 3103979
1-(2-Methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
CID 251290
N-(2,4-dimethylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4879485
N-[(2R,4S)-2-methyl-1-(1-oxopropyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 658600
N-((2R,4S)-1-butyryl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 658601
N-(1-butanoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 3122734
5-Dipropylamino-5,6-dihydro-1H,4H-pyrrolo[3,2,1-ij]quinolin-2-one
CID 11311820
3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 109013312
N-(2-methyl-1-propionyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 4271604
1-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)ethyl]pyrrolidine-2,5-dione
CID 2879376

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one?
The IUPAC name of 1-(6-ethyl-1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one (CID 122198636) is 1-(6-ethyl-1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(6-ethyl-1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(6-ethyl-1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one is C#CCN1CCC(N2CCCC2=O)c2cc(CC)ccc21.
What is the InChIKey of 1-(6-ethyl-1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one?
The InChIKey is QRSLGUIBSVGZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-10-19-12-9-17(20-11-5-6-18(20)21)15-13-14(4-2)7-8-16(15)19/h1,7-8,13,17H,4-6,9-12H2,2H3.
What are the key properties of 1-(6-ethyl-1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one?
1-(6-ethyl-1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one has a molecular weight of 282.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 122198636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).