2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone

C23H26F2N2O3 — CID 78860773

IUPAC2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(C2CCCN2C(=O)CN2CCCc3cc(F)cc(F)c32)cc1OC
InChIInChI=1S/C23H26F2N2O3/c1-29-20-8-7-15(12-21(20)30-2)19-6-4-10-27(19)22(28)14-26-9-3-5-16-11-17(24)13-18(25)23(16)26/h7-8,11-13,19H,3-6,9-10,14H2,1-2H3
InChIKeyVDXOGCHTHGHRFM-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.10
Rot. Bonds5

About 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone

2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 78860773) has the molecular formula C23H26F2N2O3 and a molecular weight of 416.47 g/mol. Its IUPAC name is 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
PubChem CID78860773
Molecular FormulaC23H26F2N2O3
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(C2CCCN2C(=O)CN2CCCc3cc(F)cc(F)c32)cc1OC
InChIInChI=1S/C23H26F2N2O3/c1-29-20-8-7-15(12-21(20)30-2)19-6-4-10-27(19)22(28)14-26-9-3-5-16-11-17(24)13-18(25)23(16)26/h7-8,11-13,19H,3-6,9-10,14H2,1-2H3
InChIKeyVDXOGCHTHGHRFM-UHFFFAOYSA-N
XLogP4.10
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone 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

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 46420243
1-[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide
CID 78860771
3-amino-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 119700980
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 18147717
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 42938814
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119935933
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[1-(2-fluorophenyl)ethyl-methylamino]ethanone
CID 78901182
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119700981
1-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-naphthalen-2-ylsulfanylethanone
CID 30146061
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 119700970
2-(3,5-dichlorophenoxy)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 78846443

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone (CID 78860773) is 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone is COc1ccc(C2CCCN2C(=O)CN2CCCc3cc(F)cc(F)c32)cc1OC.
What is the InChIKey of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is VDXOGCHTHGHRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O3/c1-29-20-8-7-15(12-21(20)30-2)19-6-4-10-27(19)22(28)14-26-9-3-5-16-11-17(24)13-18(25)23(16)26/h7-8,11-13,19H,3-6,9-10,14H2,1-2H3.
What are the key properties of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone?
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 416.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 78860773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).