1-(6-bromoquinolin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide

C21H19BrFN3O — CID 23537265

IUPAC1-(6-bromoquinolin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCN(c2ccnc3ccc(Br)cc23)CC1
InChIInChI=1S/C21H19BrFN3O/c22-15-1-6-19-18(13-15)20(7-10-24-19)26-11-8-14(9-12-26)21(27)25-17-4-2-16(23)3-5-17/h1-7,10,13-14H,8-9,11-12H2,(H,25,27)
InChIKeyUGKBKSDKKUOZRT-UHFFFAOYSA-N
MW428.31 g/mol
LogP4.99
Rot. Bonds3

About 1-(6-bromoquinolin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide

1-(6-bromoquinolin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide (PubChem CID 23537265) has the molecular formula C21H19BrFN3O and a molecular weight of 428.31 g/mol. Its IUPAC name is 1-(6-bromoquinolin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-bromoquinolin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
PubChem CID23537265
Molecular FormulaC21H19BrFN3O
Molecular Weight428.31 g/mol
Exact Mass427.07
IUPAC Name1-(6-bromoquinolin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCN(c2ccnc3ccc(Br)cc23)CC1
InChIInChI=1S/C21H19BrFN3O/c22-15-1-6-19-18(13-15)20(7-10-24-19)26-11-8-14(9-12-26)21(27)25-17-4-2-16(23)3-5-17/h1-7,10,13-14H,8-9,11-12H2,(H,25,27)
InChIKeyUGKBKSDKKUOZRT-UHFFFAOYSA-N
XLogP4.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.31
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-bromoanilino)quinolin-6-yl]prop-2-enamide
CID 46197015
N-(4-(3-Bromophenylamino)quinolin-6-yl)-4-(dimethylamino)-butanamide
CID 46197128
3-bromo-N-quinolin-5-ylbenzamide
CID 930554
6-bromo-2-(4-methylphenyl)-N-(pyridin-3-yl)quinoline-4-carboxamide
CID 2220526
2-(3-bromophenyl)-N-(pyridin-4-yl)quinoline-4-carboxamide
CID 5182253
N-(quinolin-3-yl)-1-(3-(trifluoromethyl)phenyl)piperidine-4-carboxamide
CID 11696967
6-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]quinolin-4-amine
CID 23767622
1-(4-Bromophenyl)-3-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
CID 44533447
1-(4-Bromo-3-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
CID 44533486
6-bromo-N-(2-phenylethyl)quinolin-4-amine
CID 146403450
6-Bromo-4-(piperazin-1-yl)quinoline
CID 17040080
2-(3-bromophenyl)-N-(pyridin-3-yl)quinoline-4-carboxamide
CID 1290197

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromoquinolin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-bromoquinolin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide (CID 23537265) is 1-(6-bromoquinolin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-bromoquinolin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-bromoquinolin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide is O=C(Nc1ccc(F)cc1)C1CCN(c2ccnc3ccc(Br)cc23)CC1.
What is the InChIKey of 1-(6-bromoquinolin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is UGKBKSDKKUOZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrFN3O/c22-15-1-6-19-18(13-15)20(7-10-24-19)26-11-8-14(9-12-26)21(27)25-17-4-2-16(23)3-5-17/h1-7,10,13-14H,8-9,11-12H2,(H,25,27).
What are the key properties of 1-(6-bromoquinolin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide?
1-(6-bromoquinolin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 428.31 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromoquinolin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 23537265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).