[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone

C21H21N3O2 — CID 129349791

IUPAC[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
SMILESCOc1ccccc1[C@H]1CNCCN1C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C21H21N3O2/c1-26-20-9-5-3-7-16(20)19-14-22-12-13-24(19)21(25)18-11-10-15-6-2-4-8-17(15)23-18/h2-11,19,22H,12-14H2,1H3/t19-/m1/s1
InChIKeyHWCWLOIYPFHLAV-LJQANCHMSA-N
MW347.42 g/mol
LogP3.03
Rot. Bonds3

About [(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone

[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone (PubChem CID 129349791) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is [(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
PubChem CID129349791
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
SMILESCOc1ccccc1[C@H]1CNCCN1C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C21H21N3O2/c1-26-20-9-5-3-7-16(20)19-14-22-12-13-24(19)21(25)18-11-10-15-6-2-4-8-17(15)23-18/h2-11,19,22H,12-14H2,1H3/t19-/m1/s1
InChIKeyHWCWLOIYPFHLAV-LJQANCHMSA-N
XLogP3.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 110109299
(1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 124958818
2-indazol-2-yl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120734547
[2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 120733114
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733613
[2-(4-fluorophenyl)triazol-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734530
[2-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-methylphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120733828
(2-benzyl-1,3-thiazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120732761
(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734041
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone (CID 129349791) is [(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone is COc1ccccc1[C@H]1CNCCN1C(=O)c1ccc2ccccc2n1.
What is the InChIKey of [(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is HWCWLOIYPFHLAV-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-20-9-5-3-7-16(20)19-14-22-12-13-24(19)21(25)18-11-10-15-6-2-4-8-17(15)23-18/h2-11,19,22H,12-14H2,1H3/t19-/m1/s1.
What are the key properties of [(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone?
[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 347.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 129349791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).