4-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one

C25H27FN2O2 — CID 143372942

IUPAC4-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one
SMILESFc1ccc(CC(OCC2CC2)c2ccnc3ccccc23)cc1.O=C1CCCN1
InChIInChI=1S/C21H20FNO.C4H7NO/c22-17-9-7-15(8-10-17)13-21(24-14-16-5-6-16)19-11-12-23-20-4-2-1-3-18(19)20;6-4-2-1-3-5-4/h1-4,7-12,16,21H,5-6,13-14H2;1-3H2,(H,5,6)
InChIKeyGOGVMQCBQOASDE-UHFFFAOYSA-N
MW406.50 g/mol
LogP4.98
Rot. Bonds6

About 4-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one

4-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one (PubChem CID 143372942) has the molecular formula C25H27FN2O2 and a molecular weight of 406.50 g/mol. Its IUPAC name is 4-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one
PubChem CID143372942
Molecular FormulaC25H27FN2O2
Molecular Weight406.50 g/mol
Exact Mass406.21
IUPAC Name4-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one
SMILESFc1ccc(CC(OCC2CC2)c2ccnc3ccccc23)cc1.O=C1CCCN1
InChIInChI=1S/C21H20FNO.C4H7NO/c22-17-9-7-15(8-10-17)13-21(24-14-16-5-6-16)19-11-12-23-20-4-2-1-3-18(19)20;6-4-2-1-3-5-4/h1-4,7-12,16,21H,5-6,13-14H2;1-3H2,(H,5,6)
InChIKeyGOGVMQCBQOASDE-UHFFFAOYSA-N
XLogP4.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,3'S)-N-cyclopropyl-5,6-difluoro-N-(quinolin-8-ylmethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide
CID 57390809
(3R,3'S)-N-cyclopropyl-5,6-difluoro-N-(quinolin-4-ylmethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide
CID 57394344
N-[2-[4-(ethoxymethyl)phenyl]-6-fluoroquinolin-4-yl]-3-pyrrolidin-1-ylpropanamide
CID 155542664
1-[5-(2-Cyclopropylquinolin-4-YL)-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-oxadiazol-3-YL]ethan-1-one
CID 50800470
cyclopropyl((S)-3-(4-(((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)amino)quinolin-6-yl)-3-methoxypyrrolidin-1-yl)methanone
CID 171658326
1-((S)-3-(4-(((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)amino)quinolin-6-yl)-3-methoxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 171658346
cyclopropyl((R)-3-(4-(((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)amino)quinolin-6-yl)-3-methoxypyrrolidin-1-yl)methanone
CID 171658432
1-((R)-3-(4-(((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)amino)quinolin-6-yl)-3-methoxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 171658437
N-[(2R*,4R*,6S*)-2-cyclohexyl-6-quinolin-3-yltetrahydro-2H-pyran-4-yl]acetamide
CID 50967151
3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinolin-3-ylmethyl)propanamide
CID 45187710
benzyl N-[(2S)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 51951166
1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 71958502

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one?
The IUPAC name of 4-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one (CID 143372942) is 4-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one.
What is the SMILES notation for 4-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one?
The canonical SMILES for 4-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one is Fc1ccc(CC(OCC2CC2)c2ccnc3ccccc23)cc1.O=C1CCCN1.
What is the InChIKey of 4-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one?
The InChIKey is GOGVMQCBQOASDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO.C4H7NO/c22-17-9-7-15(8-10-17)13-21(24-14-16-5-6-16)19-11-12-23-20-4-2-1-3-18(19)20;6-4-2-1-3-5-4/h1-4,7-12,16,21H,5-6,13-14H2;1-3H2,(H,5,6).
What are the key properties of 4-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one?
4-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one has a molecular weight of 406.50 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one is sourced from PubChem (CID 143372942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).