[4-[(6-bromo-8-chloroquinolin-2-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone

C19H17BrClN3O2 — CID 133436512

IUPAC[4-[(6-bromo-8-chloroquinolin-2-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC(Nc2ccc3cc(Br)cc(Cl)c3n2)CC1
InChIInChI=1S/C19H17BrClN3O2/c20-14-9-12-1-2-17(23-18(12)16(21)10-14)22-15-3-6-24(7-4-15)19(25)13-5-8-26-11-13/h1-2,5,8-11,15H,3-4,6-7H2,(H,22,23)
InChIKeyKIIYZDRPTPEFQQ-UHFFFAOYSA-N
MW434.72 g/mol
LogP4.96
Rot. Bonds3

About [4-[(6-bromo-8-chloroquinolin-2-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone

[4-[(6-bromo-8-chloroquinolin-2-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 133436512) has the molecular formula C19H17BrClN3O2 and a molecular weight of 434.72 g/mol. Its IUPAC name is [4-[(6-bromo-8-chloroquinolin-2-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[(6-bromo-8-chloroquinolin-2-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID133436512
Molecular FormulaC19H17BrClN3O2
Molecular Weight434.72 g/mol
Exact Mass433.02
IUPAC Name[4-[(6-bromo-8-chloroquinolin-2-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC(Nc2ccc3cc(Br)cc(Cl)c3n2)CC1
InChIInChI=1S/C19H17BrClN3O2/c20-14-9-12-1-2-17(23-18(12)16(21)10-14)22-15-3-6-24(7-4-15)19(25)13-5-8-26-11-13/h1-2,5,8-11,15H,3-4,6-7H2,(H,22,23)
InChIKeyKIIYZDRPTPEFQQ-UHFFFAOYSA-N
XLogP4.96
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.72
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(6-bromo-8-chloroquinolin-2-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone with MolForge

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Related Compounds

[4-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 167769071
(3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
CID 32530613
4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid
CID 154249318
[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 133489193
furan-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone
CID 99832210
furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone
CID 97321950
2-(2,6-dichlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38198477
2-(2-chlorophenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38210187
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 38198333
[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone
CID 32532621
1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone
CID 43773718

Frequently Asked Questions

What is the IUPAC name of [4-[(6-bromo-8-chloroquinolin-2-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[(6-bromo-8-chloroquinolin-2-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone (CID 133436512) is [4-[(6-bromo-8-chloroquinolin-2-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[(6-bromo-8-chloroquinolin-2-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[(6-bromo-8-chloroquinolin-2-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCC(Nc2ccc3cc(Br)cc(Cl)c3n2)CC1.
What is the InChIKey of [4-[(6-bromo-8-chloroquinolin-2-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is KIIYZDRPTPEFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClN3O2/c20-14-9-12-1-2-17(23-18(12)16(21)10-14)22-15-3-6-24(7-4-15)19(25)13-5-8-26-11-13/h1-2,5,8-11,15H,3-4,6-7H2,(H,22,23).
What are the key properties of [4-[(6-bromo-8-chloroquinolin-2-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone?
[4-[(6-bromo-8-chloroquinolin-2-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 434.72 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-bromo-8-chloroquinolin-2-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 133436512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).