6-bromo-4-chloro-2-ethyl-3-[(4-fluoropiperidin-1-yl)methyl]quinoline

C17H19BrClFN2 — CID 138637243

IUPAC6-bromo-4-chloro-2-ethyl-3-[(4-fluoropiperidin-1-yl)methyl]quinoline
SMILESCCc1nc2ccc(Br)cc2c(Cl)c1CN1CCC(F)CC1
InChIInChI=1S/C17H19BrClFN2/c1-2-15-14(10-22-7-5-12(20)6-8-22)17(19)13-9-11(18)3-4-16(13)21-15/h3-4,9,12H,2,5-8,10H2,1H3
InChIKeyHTDOXDOBRTZHJG-UHFFFAOYSA-N
MW385.71 g/mol
LogP5.15
Rot. Bonds3

About 6-bromo-4-chloro-2-ethyl-3-[(4-fluoropiperidin-1-yl)methyl]quinoline

6-bromo-4-chloro-2-ethyl-3-[(4-fluoropiperidin-1-yl)methyl]quinoline (PubChem CID 138637243) has the molecular formula C17H19BrClFN2 and a molecular weight of 385.71 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-ethyl-3-[(4-fluoropiperidin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name6-bromo-4-chloro-2-ethyl-3-[(4-fluoropiperidin-1-yl)methyl]quinoline
PubChem CID138637243
Molecular FormulaC17H19BrClFN2
Molecular Weight385.71 g/mol
Exact Mass384.04
IUPAC Name6-bromo-4-chloro-2-ethyl-3-[(4-fluoropiperidin-1-yl)methyl]quinoline
SMILESCCc1nc2ccc(Br)cc2c(Cl)c1CN1CCC(F)CC1
InChIInChI=1S/C17H19BrClFN2/c1-2-15-14(10-22-7-5-12(20)6-8-22)17(19)13-9-11(18)3-4-16(13)21-15/h3-4,9,12H,2,5-8,10H2,1H3
InChIKeyHTDOXDOBRTZHJG-UHFFFAOYSA-N
XLogP5.15
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.71
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-ethyl-3-[(4-fluoropiperidin-1-yl)methyl]quinoline?
The IUPAC name of 6-bromo-4-chloro-2-ethyl-3-[(4-fluoropiperidin-1-yl)methyl]quinoline (CID 138637243) is 6-bromo-4-chloro-2-ethyl-3-[(4-fluoropiperidin-1-yl)methyl]quinoline.
What is the SMILES notation for 6-bromo-4-chloro-2-ethyl-3-[(4-fluoropiperidin-1-yl)methyl]quinoline?
The canonical SMILES for 6-bromo-4-chloro-2-ethyl-3-[(4-fluoropiperidin-1-yl)methyl]quinoline is CCc1nc2ccc(Br)cc2c(Cl)c1CN1CCC(F)CC1.
What is the InChIKey of 6-bromo-4-chloro-2-ethyl-3-[(4-fluoropiperidin-1-yl)methyl]quinoline?
The InChIKey is HTDOXDOBRTZHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClFN2/c1-2-15-14(10-22-7-5-12(20)6-8-22)17(19)13-9-11(18)3-4-16(13)21-15/h3-4,9,12H,2,5-8,10H2,1H3.
What are the key properties of 6-bromo-4-chloro-2-ethyl-3-[(4-fluoropiperidin-1-yl)methyl]quinoline?
6-bromo-4-chloro-2-ethyl-3-[(4-fluoropiperidin-1-yl)methyl]quinoline has a molecular weight of 385.71 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2-ethyl-3-[(4-fluoropiperidin-1-yl)methyl]quinoline is sourced from PubChem (CID 138637243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).