(2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone

C21H27N3O2 — CID 96572515

IUPAC(2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)c2cccc(C)c2n1
InChIInChI=1S/C21H27N3O2/c1-15-5-3-7-18-19(13-16(2)22-20(15)18)21(25)24-10-8-23(9-11-24)14-17-6-4-12-26-17/h3,5,7,13,17H,4,6,8-12,14H2,1-2H3/t17-/m1/s1
InChIKeyZHKFQKOEGUBUEQ-QGZVFWFLSA-N
MW353.47 g/mol
LogP2.79
Rot. Bonds3

About (2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone

(2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 96572515) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID96572515
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)c2cccc(C)c2n1
InChIInChI=1S/C21H27N3O2/c1-15-5-3-7-18-19(13-16(2)22-20(15)18)21(25)24-10-8-23(9-11-24)14-17-6-4-12-26-17/h3,5,7,13,17H,4,6,8-12,14H2,1-2H3/t17-/m1/s1
InChIKeyZHKFQKOEGUBUEQ-QGZVFWFLSA-N
XLogP2.79
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
CID 50765986
(2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46291536
(2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone
CID 74249309
(6-chloro-2-pyridinyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 62232904
1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 171680757
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105451
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone
CID 46985286
1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone
CID 70719076
(3-methyl-1,2-oxazol-5-yl)-[4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 94021683
[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9209032
(5-hydroxy-3-pyridinyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 63858865
(2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 96575693

Frequently Asked Questions

What is the IUPAC name of (2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone (CID 96572515) is (2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)c2cccc(C)c2n1.
What is the InChIKey of (2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is ZHKFQKOEGUBUEQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-5-3-7-18-19(13-16(2)22-20(15)18)21(25)24-10-8-23(9-11-24)14-17-6-4-12-26-17/h3,5,7,13,17H,4,6,8-12,14H2,1-2H3/t17-/m1/s1.
What are the key properties of (2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone?
(2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 96572515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).