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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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).