8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one

C25H27FN2O2 — CID 143372997

IUPAC8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one
SMILESFc1ccc(CC(OCC2CC2)c2cccc3cccnc23)cc1.O=C1CCCN1
InChIInChI=1S/C21H20FNO.C4H7NO/c22-18-10-8-15(9-11-18)13-20(24-14-16-6-7-16)19-5-1-3-17-4-2-12-23-21(17)19;6-4-2-1-3-5-4/h1-5,8-12,16,20H,6-7,13-14H2;1-3H2,(H,5,6)
InChIKeyMKCUCBFUGQPGAQ-UHFFFAOYSA-N
MW406.50 g/mol
LogP4.98
Rot. Bonds6

About 8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one

8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one (PubChem CID 143372997) has the molecular formula C25H27FN2O2 and a molecular weight of 406.50 g/mol. Its IUPAC name is 8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one.

Molecular Properties

Compound Name8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one
PubChem CID143372997
Molecular FormulaC25H27FN2O2
Molecular Weight406.50 g/mol
Exact Mass406.21
IUPAC Name8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one
SMILESFc1ccc(CC(OCC2CC2)c2cccc3cccnc23)cc1.O=C1CCCN1
InChIInChI=1S/C21H20FNO.C4H7NO/c22-18-10-8-15(9-11-18)13-20(24-14-16-6-7-16)19-5-1-3-17-4-2-12-23-21(17)19;6-4-2-1-3-5-4/h1-5,8-12,16,20H,6-7,13-14H2;1-3H2,(H,5,6)
InChIKeyMKCUCBFUGQPGAQ-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 8-[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

8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline
CID 143372998
4-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one
CID 143372942
2-(4-fluorophenyl)-1-quinolin-8-ylethanol
CID 63969152
4-[2-(4-fluorophenyl)-1-naphthalen-1-ylethoxy]aniline;pyrrolidin-2-one
CID 143373063
cyclopropylmethanol;1-[(1S)-1-(4-fluorophenyl)-2-quinolin-8-ylethyl]piperidin-2-one
CID 143373074
2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine
CID 81227602
8-(piperidin-4-ylmethoxy)quinoline;dihydrochloride
CID 46735640
4-[(1S,2R)-1-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)-2-quinolin-8-ylethoxy]benzonitrile
CID 59552040
[(4-fluorophenyl)-quinolin-8-ylmethyl]hydrazine
CID 105192623
2-cyclopentyl-1-quinolin-8-ylethanol
CID 65149248
2-(3-fluorophenyl)-1-quinolin-8-ylethanol
CID 63969349
2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine
CID 81229127

Frequently Asked Questions

What is the IUPAC name of 8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one?
The IUPAC name of 8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one (CID 143372997) is 8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one.
What is the SMILES notation for 8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one?
The canonical SMILES for 8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one is Fc1ccc(CC(OCC2CC2)c2cccc3cccnc23)cc1.O=C1CCCN1.
What is the InChIKey of 8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one?
The InChIKey is MKCUCBFUGQPGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO.C4H7NO/c22-18-10-8-15(9-11-18)13-20(24-14-16-6-7-16)19-5-1-3-17-4-2-12-23-21(17)19;6-4-2-1-3-5-4/h1-5,8-12,16,20H,6-7,13-14H2;1-3H2,(H,5,6).
What are the key properties of 8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one?
8-[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 8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one is sourced from PubChem (CID 143372997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).