(2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone

C21H20BrN3O — CID 108765029

IUPAC(2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccccc3Br)CC2)nc2ccccc12
InChIInChI=1S/C21H20BrN3O/c1-15-14-20(23-19-9-5-3-6-16(15)19)24-10-12-25(13-11-24)21(26)17-7-2-4-8-18(17)22/h2-9,14H,10-13H2,1H3
InChIKeyHQIGQZVHIQIIHJ-UHFFFAOYSA-N
MW410.32 g/mol
LogP4.27
Rot. Bonds2

About (2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone

(2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone (PubChem CID 108765029) has the molecular formula C21H20BrN3O and a molecular weight of 410.32 g/mol. Its IUPAC name is (2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
PubChem CID108765029
Molecular FormulaC21H20BrN3O
Molecular Weight410.32 g/mol
Exact Mass409.08
IUPAC Name(2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccccc3Br)CC2)nc2ccccc12
InChIInChI=1S/C21H20BrN3O/c1-15-14-20(23-19-9-5-3-6-16(15)19)24-10-12-25(13-11-24)21(26)17-7-2-4-8-18(17)22/h2-9,14H,10-13H2,1H3
InChIKeyHQIGQZVHIQIIHJ-UHFFFAOYSA-N
XLogP4.27
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765021
[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone
CID 108810889
[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 60526988
1-methyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid
CID 29096210
[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylsulfonyl-2-piperidin-1-ylphenyl)methanone
CID 59706404
3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
CID 108765024
(2-bromophenyl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91631610
(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765053
4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride
CID 45370344
2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione
CID 108765052
(2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249489
(2-bromophenyl)-[4-(3,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075509

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone (CID 108765029) is (2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)c3ccccc3Br)CC2)nc2ccccc12.
What is the InChIKey of (2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone?
The InChIKey is HQIGQZVHIQIIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O/c1-15-14-20(23-19-9-5-3-6-16(15)19)24-10-12-25(13-11-24)21(26)17-7-2-4-8-18(17)22/h2-9,14H,10-13H2,1H3.
What are the key properties of (2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone?
(2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone has a molecular weight of 410.32 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 108765029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).