[2-(3,4-difluorophenyl)quinolin-4-yl]-[2-[3-(dimethylamino)-1-(methylamino)propyl]pyrrolidin-1-yl]methanone

C26H30F2N4O — CID 18541089

IUPAC[2-(3,4-difluorophenyl)quinolin-4-yl]-[2-[3-(dimethylamino)-1-(methylamino)propyl]pyrrolidin-1-yl]methanone
SMILESCNC(CCN(C)C)C1CCCN1C(=O)c1cc(-c2ccc(F)c(F)c2)nc2ccccc12
InChIInChI=1S/C26H30F2N4O/c1-29-23(12-14-31(2)3)25-9-6-13-32(25)26(33)19-16-24(17-10-11-20(27)21(28)15-17)30-22-8-5-4-7-18(19)22/h4-5,7-8,10-11,15-16,23,25,29H,6,9,12-14H2,1-3H3
InChIKeyBGFFIUVFOCKQMH-UHFFFAOYSA-N
MW452.55 g/mol
LogP4.32
Rot. Bonds7

About [2-(3,4-difluorophenyl)quinolin-4-yl]-[2-[3-(dimethylamino)-1-(methylamino)propyl]pyrrolidin-1-yl]methanone

[2-(3,4-difluorophenyl)quinolin-4-yl]-[2-[3-(dimethylamino)-1-(methylamino)propyl]pyrrolidin-1-yl]methanone (PubChem CID 18541089) has the molecular formula C26H30F2N4O and a molecular weight of 452.55 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)quinolin-4-yl]-[2-[3-(dimethylamino)-1-(methylamino)propyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)quinolin-4-yl]-[2-[3-(dimethylamino)-1-(methylamino)propyl]pyrrolidin-1-yl]methanone
PubChem CID18541089
Molecular FormulaC26H30F2N4O
Molecular Weight452.55 g/mol
Exact Mass452.24
IUPAC Name[2-(3,4-difluorophenyl)quinolin-4-yl]-[2-[3-(dimethylamino)-1-(methylamino)propyl]pyrrolidin-1-yl]methanone
SMILESCNC(CCN(C)C)C1CCCN1C(=O)c1cc(-c2ccc(F)c(F)c2)nc2ccccc12
InChIInChI=1S/C26H30F2N4O/c1-29-23(12-14-31(2)3)25-9-6-13-32(25)26(33)19-16-24(17-10-11-20(27)21(28)15-17)30-22-8-5-4-7-18(19)22/h4-5,7-8,10-11,15-16,23,25,29H,6,9,12-14H2,1-3H3
InChIKeyBGFFIUVFOCKQMH-UHFFFAOYSA-N
XLogP4.32
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3,4-difluorophenyl)quinolin-4-yl]-[2-[3-(dimethylamino)-1-(methylamino)propyl]pyrrolidin-1-yl]methanone 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-(3,4-difluorophenyl)quinolin-4-yl]-[(2R)-2-[[ethyl(pyrrolidin-1-yl)amino]methyl]pyrrolidin-1-yl]methanone
CID 20583402
2-(3,4-difluorophenyl)quinoline-4-carboxylic acid
CID 4611633
[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 92606138
[2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 4198467
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1221554
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119544927
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1022755
4-(dimethylamino)-1-[2-(3,4,5-trifluorophenyl)quinolin-4-yl]butan-1-one
CID 159340286
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 119542238
[2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone
CID 119435832
[2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
CID 119436975
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone
CID 119646409

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)quinolin-4-yl]-[2-[3-(dimethylamino)-1-(methylamino)propyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(3,4-difluorophenyl)quinolin-4-yl]-[2-[3-(dimethylamino)-1-(methylamino)propyl]pyrrolidin-1-yl]methanone (CID 18541089) is [2-(3,4-difluorophenyl)quinolin-4-yl]-[2-[3-(dimethylamino)-1-(methylamino)propyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(3,4-difluorophenyl)quinolin-4-yl]-[2-[3-(dimethylamino)-1-(methylamino)propyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(3,4-difluorophenyl)quinolin-4-yl]-[2-[3-(dimethylamino)-1-(methylamino)propyl]pyrrolidin-1-yl]methanone is CNC(CCN(C)C)C1CCCN1C(=O)c1cc(-c2ccc(F)c(F)c2)nc2ccccc12.
What is the InChIKey of [2-(3,4-difluorophenyl)quinolin-4-yl]-[2-[3-(dimethylamino)-1-(methylamino)propyl]pyrrolidin-1-yl]methanone?
The InChIKey is BGFFIUVFOCKQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N4O/c1-29-23(12-14-31(2)3)25-9-6-13-32(25)26(33)19-16-24(17-10-11-20(27)21(28)15-17)30-22-8-5-4-7-18(19)22/h4-5,7-8,10-11,15-16,23,25,29H,6,9,12-14H2,1-3H3.
What are the key properties of [2-(3,4-difluorophenyl)quinolin-4-yl]-[2-[3-(dimethylamino)-1-(methylamino)propyl]pyrrolidin-1-yl]methanone?
[2-(3,4-difluorophenyl)quinolin-4-yl]-[2-[3-(dimethylamino)-1-(methylamino)propyl]pyrrolidin-1-yl]methanone has a molecular weight of 452.55 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)quinolin-4-yl]-[2-[3-(dimethylamino)-1-(methylamino)propyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 18541089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).