7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline

C19H21N5 — CID 118911329

IUPAC7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline
SMILESC[C@@H](c1ccc2cccnc2c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H21N5/c1-15(17-6-5-16-4-2-7-20-18(16)14-17)23-10-12-24(13-11-23)19-21-8-3-9-22-19/h2-9,14-15H,10-13H2,1H3/t15-/m0/s1
InChIKeyIVLDFSFMFHFSGH-HNNXBMFYSA-N
MW319.41 g/mol
LogP2.91
Rot. Bonds3

About 7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline

7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline (PubChem CID 118911329) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline.

Molecular Properties

Compound Name7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline
PubChem CID118911329
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline
SMILESC[C@@H](c1ccc2cccnc2c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H21N5/c1-15(17-6-5-16-4-2-7-20-18(16)14-17)23-10-12-24(13-11-23)19-21-8-3-9-22-19/h2-9,14-15H,10-13H2,1H3/t15-/m0/s1
InChIKeyIVLDFSFMFHFSGH-HNNXBMFYSA-N
XLogP2.91
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-(1-quinolin-7-ylethyl)piperazin-1-yl]pyrimidin-5-yl]butan-2-imine
CID 175959537
2-[4-(1-quinolin-7-ylethyl)piperazin-1-yl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6-oxide
CID 142414069
tert-butyl 4-(1-quinolin-7-ylethyl)piperazine-1-carboxylate
CID 142414052
2-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]pyrimidine
CID 118911376
2-[4-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazin-1-yl]pyrimidine
CID 118902935
2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol
CID 130366452
2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 167102077
(2-methyl-2-pyrrolidin-1-yl-1-quinolin-7-ylpropyl)hydrazine
CID 105239535
2,2-dimethyl-1-quinolin-7-ylpropan-1-amine
CID 81220535
N-ethyl-1-quinolin-7-ylethanamine
CID 81221005
1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 21279253
N-[1-[4-[1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetamide
CID 11566790

Frequently Asked Questions

What is the IUPAC name of 7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline?
The IUPAC name of 7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline (CID 118911329) is 7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline.
What is the SMILES notation for 7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline?
The canonical SMILES for 7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline is C[C@@H](c1ccc2cccnc2c1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline?
The InChIKey is IVLDFSFMFHFSGH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N5/c1-15(17-6-5-16-4-2-7-20-18(16)14-17)23-10-12-24(13-11-23)19-21-8-3-9-22-19/h2-9,14-15H,10-13H2,1H3/t15-/m0/s1.
What are the key properties of 7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline?
7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline has a molecular weight of 319.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline is sourced from PubChem (CID 118911329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).