[2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone

C22H21BrN2O — CID 17386031

IUPAC[2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)N3CCCCC3)c2c1
InChIInChI=1S/C22H21BrN2O/c1-15-5-10-20-18(13-15)19(22(26)25-11-3-2-4-12-25)14-21(24-20)16-6-8-17(23)9-7-16/h5-10,13-14H,2-4,11-12H2,1H3
InChIKeyPUUATRDPGZQQJZ-UHFFFAOYSA-N
MW409.33 g/mol
LogP5.60
Rot. Bonds2

About [2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone

[2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone (PubChem CID 17386031) has the molecular formula C22H21BrN2O and a molecular weight of 409.33 g/mol. Its IUPAC name is [2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
PubChem CID17386031
Molecular FormulaC22H21BrN2O
Molecular Weight409.33 g/mol
Exact Mass408.08
IUPAC Name[2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)N3CCCCC3)c2c1
InChIInChI=1S/C22H21BrN2O/c1-15-5-10-20-18(13-15)19(22(26)25-11-3-2-4-12-25)14-21(24-20)16-6-8-17(23)9-7-16/h5-10,13-14H,2-4,11-12H2,1H3
InChIKeyPUUATRDPGZQQJZ-UHFFFAOYSA-N
XLogP5.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.33
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 42749728
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 7677683
[6-bromo-2-(4-methylphenyl)quinolin-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 5228625
[2-(3-bromophenyl)-6-methylquinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 2220574
6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid
CID 168514407
[2-(3-bromophenyl)-6-methylquinolin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 2220573
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
(6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 997940
(6-chloro-2-pyridin-4-ylquinolin-4-yl)-piperidin-1-ylmethanone
CID 17375203
[6-bromo-2-(4-methylphenyl)quinolin-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 17087821
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4283982

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone (CID 17386031) is [2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone is Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)N3CCCCC3)c2c1.
What is the InChIKey of [2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is PUUATRDPGZQQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O/c1-15-5-10-20-18(13-15)19(22(26)25-11-3-2-4-12-25)14-21(24-20)16-6-8-17(23)9-7-16/h5-10,13-14H,2-4,11-12H2,1H3.
What are the key properties of [2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone?
[2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 409.33 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 17386031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).