[4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone

C20H24ClN3O2 — CID 18129591

IUPAC[4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1c(Cl)c(CN2CCN(C(=O)C3CCCO3)CC2)nc2ccccc12
InChIInChI=1S/C20H24ClN3O2/c1-14-15-5-2-3-6-16(15)22-17(19(14)21)13-23-8-10-24(11-9-23)20(25)18-7-4-12-26-18/h2-3,5-6,18H,4,7-13H2,1H3
InChIKeyYXESAWDSIJEFJF-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.02
Rot. Bonds3

About [4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone

[4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 18129591) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is [4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID18129591
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name[4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1c(Cl)c(CN2CCN(C(=O)C3CCCO3)CC2)nc2ccccc12
InChIInChI=1S/C20H24ClN3O2/c1-14-15-5-2-3-6-16(15)22-17(19(14)21)13-23-8-10-24(11-9-23)20(25)18-7-4-12-26-18/h2-3,5-6,18H,4,7-13H2,1H3
InChIKeyYXESAWDSIJEFJF-UHFFFAOYSA-N
XLogP3.02
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone with MolForge

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Related Compounds

[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971292
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 9237767
[4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 51923514
[4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 35045548
[4-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95311750
[(2R)-oxolan-2-yl]-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 29235172
1-benzyl-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393085
2-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 51172922
oxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 134704589
[4-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 72848629
[(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2578088

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone (CID 18129591) is [4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone is Cc1c(Cl)c(CN2CCN(C(=O)C3CCCO3)CC2)nc2ccccc12.
What is the InChIKey of [4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is YXESAWDSIJEFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-14-15-5-2-3-6-16(15)22-17(19(14)21)13-23-8-10-24(11-9-23)20(25)18-7-4-12-26-18/h2-3,5-6,18H,4,7-13H2,1H3.
What are the key properties of [4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 373.88 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 18129591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).