[1-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]pyrrolidin-3-yl]methanol

C24H28N4O — CID 177173832

IUPAC[1-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2cc(-c3ccc(N4CCNCC4)cc3)nc3ccccc23)C1
InChIInChI=1S/C24H28N4O/c29-17-18-9-12-28(16-18)24-15-23(26-22-4-2-1-3-21(22)24)19-5-7-20(8-6-19)27-13-10-25-11-14-27/h1-8,15,18,25,29H,9-14,16-17H2
InChIKeyQSWLPXDIQXQXFG-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.13
Rot. Bonds4

About [1-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]pyrrolidin-3-yl]methanol

[1-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]pyrrolidin-3-yl]methanol (PubChem CID 177173832) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is [1-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]pyrrolidin-3-yl]methanol
PubChem CID177173832
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name[1-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2cc(-c3ccc(N4CCNCC4)cc3)nc3ccccc23)C1
InChIInChI=1S/C24H28N4O/c29-17-18-9-12-28(16-18)24-15-23(26-22-4-2-1-3-21(22)24)19-5-7-20(8-6-19)27-13-10-25-11-14-27/h1-8,15,18,25,29H,9-14,16-17H2
InChIKeyQSWLPXDIQXQXFG-UHFFFAOYSA-N
XLogP3.13
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(2-phenylquinolin-4-yl)pyrrolidin-3-ol
CID 22965973
4-(4-ethylpiperidin-1-yl)-2-phenylquinoline
CID 91081201
4-(3-ethylpiperidin-1-yl)-2-phenylquinoline
CID 90687074
N-methyl-N'-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine
CID 156642138
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 135294181
2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 70459272
[4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol
CID 64598867
4-[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-(6-piperazin-1-yl-3-pyridinyl)quinoline
CID 177173294
1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile
CID 10686671
tert-butyl 4-[4-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylthieno[3,2-b]pyridin-5-yl]phenyl]piperazine-1-carboxylate
CID 177173027
[(2S)-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-2-yl]methanol;dihydrochloride
CID 122509335

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]pyrrolidin-3-yl]methanol (CID 177173832) is [1-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]pyrrolidin-3-yl]methanol is OCC1CCN(c2cc(-c3ccc(N4CCNCC4)cc3)nc3ccccc23)C1.
What is the InChIKey of [1-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]pyrrolidin-3-yl]methanol?
The InChIKey is QSWLPXDIQXQXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c29-17-18-9-12-28(16-18)24-15-23(26-22-4-2-1-3-21(22)24)19-5-7-20(8-6-19)27-13-10-25-11-14-27/h1-8,15,18,25,29H,9-14,16-17H2.
What are the key properties of [1-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]pyrrolidin-3-yl]methanol?
[1-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]pyrrolidin-3-yl]methanol has a molecular weight of 388.52 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 177173832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).