1-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one

C25H32FN3O2 — CID 92553059

IUPAC1-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc21
InChIInChI=1S/C25H32FN3O2/c1-18(2)25(31)29-11-3-4-19-16-20(5-10-23(19)29)24(30)17-27-12-14-28(15-13-27)22-8-6-21(26)7-9-22/h5-10,16,18,24,30H,3-4,11-15,17H2,1-2H3/t24-/m1/s1
InChIKeyWLBFYCOZGIBFSM-XMMPIXPASA-N
MW425.55 g/mol
LogP3.62
Rot. Bonds5

About 1-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one

1-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one (PubChem CID 92553059) has the molecular formula C25H32FN3O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is 1-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
PubChem CID92553059
Molecular FormulaC25H32FN3O2
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC Name1-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc21
InChIInChI=1S/C25H32FN3O2/c1-18(2)25(31)29-11-3-4-19-16-20(5-10-23(19)29)24(30)17-27-12-14-28(15-13-27)22-8-6-21(26)7-9-22/h5-10,16,18,24,30H,3-4,11-15,17H2,1-2H3/t24-/m1/s1
InChIKeyWLBFYCOZGIBFSM-XMMPIXPASA-N
XLogP3.62
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-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

1-[6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
CID 46954781
1-[6-[(1R)-1-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
CID 92553061
cyclopropyl-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 51588951
1-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 16677020
1-[6-[(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 51872122
1-[6-[(1S)-1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 92549420
1-[5-[(1S)-1-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone
CID 92665737
1-[6-[(1S)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 51593609
1-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one
CID 46965271
1-[6-(2-amino-1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
CID 82341205
1-[6-[(1R)-2-(4-tert-butylpiperidin-1-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 51501002
1-[5-(1-hydroxy-2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropan-1-one
CID 16676715

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one (CID 92553059) is 1-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc21.
What is the InChIKey of 1-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one?
The InChIKey is WLBFYCOZGIBFSM-XMMPIXPASA-N. The full InChI is InChI=1S/C25H32FN3O2/c1-18(2)25(31)29-11-3-4-19-16-20(5-10-23(19)29)24(30)17-27-12-14-28(15-13-27)22-8-6-21(26)7-9-22/h5-10,16,18,24,30H,3-4,11-15,17H2,1-2H3/t24-/m1/s1.
What are the key properties of 1-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one?
1-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one has a molecular weight of 425.55 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 92553059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).