1-(6-bromo-8-chloroquinolin-2-yl)-N-propylpiperidine-4-carboxamide

C18H21BrClN3O — CID 133436506

IUPAC1-(6-bromo-8-chloroquinolin-2-yl)-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2ccc3cc(Br)cc(Cl)c3n2)CC1
InChIInChI=1S/C18H21BrClN3O/c1-2-7-21-18(24)12-5-8-23(9-6-12)16-4-3-13-10-14(19)11-15(20)17(13)22-16/h3-4,10-12H,2,5-9H2,1H3,(H,21,24)
InChIKeyASMZFUDGMMAPDY-UHFFFAOYSA-N
MW410.74 g/mol
LogP4.39
Rot. Bonds4

About 1-(6-bromo-8-chloroquinolin-2-yl)-N-propylpiperidine-4-carboxamide

1-(6-bromo-8-chloroquinolin-2-yl)-N-propylpiperidine-4-carboxamide (PubChem CID 133436506) has the molecular formula C18H21BrClN3O and a molecular weight of 410.74 g/mol. Its IUPAC name is 1-(6-bromo-8-chloroquinolin-2-yl)-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-bromo-8-chloroquinolin-2-yl)-N-propylpiperidine-4-carboxamide
PubChem CID133436506
Molecular FormulaC18H21BrClN3O
Molecular Weight410.74 g/mol
Exact Mass409.06
IUPAC Name1-(6-bromo-8-chloroquinolin-2-yl)-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2ccc3cc(Br)cc(Cl)c3n2)CC1
InChIInChI=1S/C18H21BrClN3O/c1-2-7-21-18(24)12-5-8-23(9-6-12)16-4-3-13-10-14(19)11-15(20)17(13)22-16/h3-4,10-12H,2,5-9H2,1H3,(H,21,24)
InChIKeyASMZFUDGMMAPDY-UHFFFAOYSA-N
XLogP4.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.74
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide
CID 133437188
1-(6-methylpyridazin-3-yl)-N-propylpiperidine-4-carboxamide
CID 121118861
1-[4-(6-bromo-8-chloroquinolin-2-yl)-1,4-diazepan-1-yl]propan-1-one
CID 133436745
[4-(6-bromo-8-chloroquinolin-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499069
6-bromo-8-chloro-2-(4-methylsulfonyl-1,4-diazepan-1-yl)quinoline
CID 133436493
N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206
1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-propylpiperidine-4-carboxamide
CID 3227693
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide
CID 53005508
1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide
CID 134711282
2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid
CID 67137067
N-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide
CID 133373804
1-[6-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propylpiperidine-4-carboxamide
CID 50826131

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-8-chloroquinolin-2-yl)-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-bromo-8-chloroquinolin-2-yl)-N-propylpiperidine-4-carboxamide (CID 133436506) is 1-(6-bromo-8-chloroquinolin-2-yl)-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-bromo-8-chloroquinolin-2-yl)-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-bromo-8-chloroquinolin-2-yl)-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(c2ccc3cc(Br)cc(Cl)c3n2)CC1.
What is the InChIKey of 1-(6-bromo-8-chloroquinolin-2-yl)-N-propylpiperidine-4-carboxamide?
The InChIKey is ASMZFUDGMMAPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrClN3O/c1-2-7-21-18(24)12-5-8-23(9-6-12)16-4-3-13-10-14(19)11-15(20)17(13)22-16/h3-4,10-12H,2,5-9H2,1H3,(H,21,24).
What are the key properties of 1-(6-bromo-8-chloroquinolin-2-yl)-N-propylpiperidine-4-carboxamide?
1-(6-bromo-8-chloroquinolin-2-yl)-N-propylpiperidine-4-carboxamide has a molecular weight of 410.74 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-8-chloroquinolin-2-yl)-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 133436506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).