2-(2-chloro-6-methyl-3-piperazin-1-ylquinolin-4-yl)acetamide

C16H19ClN4O — CID 139724135

IUPAC2-(2-chloro-6-methyl-3-piperazin-1-ylquinolin-4-yl)acetamide
SMILESCc1ccc2nc(Cl)c(N3CCNCC3)c(CC(N)=O)c2c1
InChIInChI=1S/C16H19ClN4O/c1-10-2-3-13-11(8-10)12(9-14(18)22)15(16(17)20-13)21-6-4-19-5-7-21/h2-3,8,19H,4-7,9H2,1H3,(H2,18,22)
InChIKeyHNESHIUEVLLWSF-UHFFFAOYSA-N
MW318.81 g/mol
LogP1.63
Rot. Bonds3

About 2-(2-chloro-6-methyl-3-piperazin-1-ylquinolin-4-yl)acetamide

2-(2-chloro-6-methyl-3-piperazin-1-ylquinolin-4-yl)acetamide (PubChem CID 139724135) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-(2-chloro-6-methyl-3-piperazin-1-ylquinolin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-methyl-3-piperazin-1-ylquinolin-4-yl)acetamide
PubChem CID139724135
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name2-(2-chloro-6-methyl-3-piperazin-1-ylquinolin-4-yl)acetamide
SMILESCc1ccc2nc(Cl)c(N3CCNCC3)c(CC(N)=O)c2c1
InChIInChI=1S/C16H19ClN4O/c1-10-2-3-13-11(8-10)12(9-14(18)22)15(16(17)20-13)21-6-4-19-5-7-21/h2-3,8,19H,4-7,9H2,1H3,(H2,18,22)
InChIKeyHNESHIUEVLLWSF-UHFFFAOYSA-N
XLogP1.63
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2,6-dichloro-3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinolin-4-yl]acetamide
CID 139896184
3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline
CID 121236184
2-(2,6-dimethylquinolin-4-yl)acetamide
CID 82575379
3-bromo-6-methyl-4-piperazin-1-ylquinoline
CID 121236335
ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate
CID 21050828
2-methoxy-6-methyl-4-piperazin-1-ylquinoline
CID 67319434
3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236420
2-(6-methylquinolin-2-yl)-1-piperazin-1-ylethanone
CID 110490371
3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline
CID 121236492
2-(2,6-dimethyl-1H-indol-3-yl)acetamide
CID 82491600
2-(4-chloro-6-methylquinolin-3-yl)acetic acid
CID 84699091
4-chloro-6-methylquinoline-2-carboxamide
CID 14991372

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methyl-3-piperazin-1-ylquinolin-4-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-methyl-3-piperazin-1-ylquinolin-4-yl)acetamide (CID 139724135) is 2-(2-chloro-6-methyl-3-piperazin-1-ylquinolin-4-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-methyl-3-piperazin-1-ylquinolin-4-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-methyl-3-piperazin-1-ylquinolin-4-yl)acetamide is Cc1ccc2nc(Cl)c(N3CCNCC3)c(CC(N)=O)c2c1.
What is the InChIKey of 2-(2-chloro-6-methyl-3-piperazin-1-ylquinolin-4-yl)acetamide?
The InChIKey is HNESHIUEVLLWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-10-2-3-13-11(8-10)12(9-14(18)22)15(16(17)20-13)21-6-4-19-5-7-21/h2-3,8,19H,4-7,9H2,1H3,(H2,18,22).
What are the key properties of 2-(2-chloro-6-methyl-3-piperazin-1-ylquinolin-4-yl)acetamide?
2-(2-chloro-6-methyl-3-piperazin-1-ylquinolin-4-yl)acetamide has a molecular weight of 318.81 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methyl-3-piperazin-1-ylquinolin-4-yl)acetamide is sourced from PubChem (CID 139724135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).