(2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone

C20H17ClFN3O — CID 113079758

IUPAC(2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCN(c2cccc3cccnc23)CC1
InChIInChI=1S/C20H17ClFN3O/c21-15-6-2-7-16(22)18(15)20(26)25-12-10-24(11-13-25)17-8-1-4-14-5-3-9-23-19(14)17/h1-9H,10-13H2
InChIKeyDDKZSLONEGUVQM-UHFFFAOYSA-N
MW369.83 g/mol
LogP3.99
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone

(2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone (PubChem CID 113079758) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
PubChem CID113079758
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC Name(2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCN(c2cccc3cccnc23)CC1
InChIInChI=1S/C20H17ClFN3O/c21-15-6-2-7-16(22)18(15)20(26)25-12-10-24(11-13-25)17-8-1-4-14-5-3-9-23-19(14)17/h1-9H,10-13H2
InChIKeyDDKZSLONEGUVQM-UHFFFAOYSA-N
XLogP3.99
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707486
2-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397204
[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-chloro-6-fluorophenyl)methanone
CID 43982501
(2-chloro-6-fluorophenyl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 36944785
(2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741394
(4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
CID 113079735
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712
(2-chloro-6-fluorophenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone
CID 113075723
(4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone
CID 113074834
N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113107984
[4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone
CID 70315409
(2-chloro-6-fluorophenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108731836

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone (CID 113079758) is (2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone is O=C(c1c(F)cccc1Cl)N1CCN(c2cccc3cccnc23)CC1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone?
The InChIKey is DDKZSLONEGUVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c21-15-6-2-7-16(22)18(15)20(26)25-12-10-24(11-13-25)17-8-1-4-14-5-3-9-23-19(14)17/h1-9H,10-13H2.
What are the key properties of (2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone?
(2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone has a molecular weight of 369.83 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 113079758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).