2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide

C26H33FN4O2 — CID 167795198

IUPAC2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1cccc(F)c1)N1CCN(CC(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C26H33FN4O2/c1-20(26(33)28(2)18-21-7-5-10-23(27)17-21)30-15-13-29(14-16-30)19-25(32)31-12-6-9-22-8-3-4-11-24(22)31/h3-5,7-8,10-11,17,20H,6,9,12-16,18-19H2,1-2H3
InChIKeyWFVNMUDNFZARMM-UHFFFAOYSA-N
MW452.57 g/mol
LogP2.77
Rot. Bonds6

About 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide

2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 167795198) has the molecular formula C26H33FN4O2 and a molecular weight of 452.57 g/mol. Its IUPAC name is 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID167795198
Molecular FormulaC26H33FN4O2
Molecular Weight452.57 g/mol
Exact Mass452.26
IUPAC Name2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1cccc(F)c1)N1CCN(CC(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C26H33FN4O2/c1-20(26(33)28(2)18-21-7-5-10-23(27)17-21)30-15-13-29(14-16-30)19-25(32)31-12-6-9-22-8-3-4-11-24(22)31/h3-5,7-8,10-11,17,20H,6,9,12-16,18-19H2,1-2H3
InChIKeyWFVNMUDNFZARMM-UHFFFAOYSA-N
XLogP2.77
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.57
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95637304
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 46508539
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8546713
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 51271595
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 87015655
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 119134857
(2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8721373
N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 46662860
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(3-fluorophenyl)methyl-methylamino]propan-1-one
CID 8516194
(2S)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 9451586

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide (CID 167795198) is 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide is CC(C(=O)N(C)Cc1cccc(F)c1)N1CCN(CC(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is WFVNMUDNFZARMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O2/c1-20(26(33)28(2)18-21-7-5-10-23(27)17-21)30-15-13-29(14-16-30)19-25(32)31-12-6-9-22-8-3-4-11-24(22)31/h3-5,7-8,10-11,17,20H,6,9,12-16,18-19H2,1-2H3.
What are the key properties of 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 452.57 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 167795198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).