1-(1-butyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one

C18H26N2O2 — CID 11044863

IUPAC1-(1-butyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one
SMILESCCCCN1CCC(N2CCCC2=O)c2cc(OC)ccc21
InChIInChI=1S/C18H26N2O2/c1-3-4-10-19-12-9-17(20-11-5-6-18(20)21)15-13-14(22-2)7-8-16(15)19/h7-8,13,17H,3-6,9-12H2,1-2H3
InChIKeyIJGQOZCCKXXAAY-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.37
Rot. Bonds5

About 1-(1-butyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one

1-(1-butyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one (PubChem CID 11044863) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(1-butyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-butyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one
PubChem CID11044863
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(1-butyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one
SMILESCCCCN1CCC(N2CCCC2=O)c2cc(OC)ccc21
InChIInChI=1S/C18H26N2O2/c1-3-4-10-19-12-9-17(20-11-5-6-18(20)21)15-13-14(22-2)7-8-16(15)19/h7-8,13,17H,3-6,9-12H2,1-2H3
InChIKeyIJGQOZCCKXXAAY-UHFFFAOYSA-N
XLogP3.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(6-ethyl-1-prop-2-ynyl-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one
CID 122198636
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CID 135002891
1-[(2S,4S)-2-(furan-2-yl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 71577760
1-[(1R,2R)-2-hydroxy-7-methoxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl]pyrrolidin-2-one
CID 67909489
(1S,4S,13R,15S)-7-methoxy-4-(2-oxopyrrolidin-1-yl)-18-oxa-11-azapentacyclo[13.2.1.01,13.02,11.05,10]octadeca-5(10),6,8,16-tetraen-12-one
CID 102574965
1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one
CID 71855025
1-[3-(4-chloro-7-methoxy-4H-quinolin-1-yl)propyl]pyrrolidin-2-one
CID 70201281
1-[(2S,4S)-6-methoxy-2-phenanthren-9-yl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 71456666
(3aS)-7-methoxy-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 135040177
1-(4-methoxy-2-methylphenyl)pyrrolidin-2-one
CID 25155815
1-[(2-bromo-5-methoxyphenyl)methyl]-5-propylazepan-2-one
CID 65326420
9-methoxy-12-methyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one
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Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one?
The IUPAC name of 1-(1-butyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one (CID 11044863) is 1-(1-butyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-butyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-butyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one is CCCCN1CCC(N2CCCC2=O)c2cc(OC)ccc21.
What is the InChIKey of 1-(1-butyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one?
The InChIKey is IJGQOZCCKXXAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-4-10-19-12-9-17(20-11-5-6-18(20)21)15-13-14(22-2)7-8-16(15)19/h7-8,13,17H,3-6,9-12H2,1-2H3.
What are the key properties of 1-(1-butyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one?
1-(1-butyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one has a molecular weight of 302.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 11044863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).