[4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

C20H24ClN3O2 — CID 51923514

IUPAC[4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCc1ccc2cc(CN3CCN(C(=O)[C@H]4CCCO4)CC3)c(Cl)nc2c1
InChIInChI=1S/C20H24ClN3O2/c1-14-4-5-15-12-16(19(21)22-17(15)11-14)13-23-6-8-24(9-7-23)20(25)18-3-2-10-26-18/h4-5,11-12,18H,2-3,6-10,13H2,1H3/t18-/m1/s1
InChIKeyRRPQOIGKEWTXFX-GOSISDBHSA-N
MW373.88 g/mol
LogP3.02
Rot. Bonds3

About [4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

[4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 51923514) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is [4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID51923514
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name[4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCc1ccc2cc(CN3CCN(C(=O)[C@H]4CCCO4)CC3)c(Cl)nc2c1
InChIInChI=1S/C20H24ClN3O2/c1-14-4-5-15-12-16(19(21)22-17(15)11-14)13-23-6-8-24(9-7-23)20(25)18-3-2-10-26-18/h4-5,11-12,18H,2-3,6-10,13H2,1H3/t18-/m1/s1
InChIKeyRRPQOIGKEWTXFX-GOSISDBHSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-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-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47010572
[4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 18129591
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 99780038
[1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol
CID 60661917
1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol
CID 115874196
2-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 51172922
1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine
CID 79874159
[4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 136568086
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 9237767
[4-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95311750

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 51923514) is [4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is Cc1ccc2cc(CN3CCN(C(=O)[C@H]4CCCO4)CC3)c(Cl)nc2c1.
What is the InChIKey of [4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is RRPQOIGKEWTXFX-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-14-4-5-15-12-16(19(21)22-17(15)11-14)13-23-6-8-24(9-7-23)20(25)18-3-2-10-26-18/h4-5,11-12,18H,2-3,6-10,13H2,1H3/t18-/m1/s1.
What are the key properties of [4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-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-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 51923514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).