8-bromo-6-chloro-1-(2-fluoro-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinoline

C16H19BrClFN2 — CID 171574988

IUPAC8-bromo-6-chloro-1-(2-fluoro-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinoline
SMILESFC1CC2(C1)CC(N1CCCc3cc(Cl)cc(Br)c31)CN2
InChIInChI=1S/C16H19BrClFN2/c17-14-5-11(18)4-10-2-1-3-21(15(10)14)13-8-16(20-9-13)6-12(19)7-16/h4-5,12-13,20H,1-3,6-9H2
InChIKeySWUVIRVFNLDBRA-UHFFFAOYSA-N
MW373.70 g/mol
LogP4.09
Rot. Bonds1

About 8-bromo-6-chloro-1-(2-fluoro-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinoline

8-bromo-6-chloro-1-(2-fluoro-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinoline (PubChem CID 171574988) has the molecular formula C16H19BrClFN2 and a molecular weight of 373.70 g/mol. Its IUPAC name is 8-bromo-6-chloro-1-(2-fluoro-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name8-bromo-6-chloro-1-(2-fluoro-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinoline
PubChem CID171574988
Molecular FormulaC16H19BrClFN2
Molecular Weight373.70 g/mol
Exact Mass372.04
IUPAC Name8-bromo-6-chloro-1-(2-fluoro-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinoline
SMILESFC1CC2(C1)CC(N1CCCc3cc(Cl)cc(Br)c31)CN2
InChIInChI=1S/C16H19BrClFN2/c17-14-5-11(18)4-10-2-1-3-21(15(10)14)13-8-16(20-9-13)6-12(19)7-16/h4-5,12-13,20H,1-3,6-9H2
InChIKeySWUVIRVFNLDBRA-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.70
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-1-(2-fluoro-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 8-bromo-6-chloro-1-(2-fluoro-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinoline (CID 171574988) is 8-bromo-6-chloro-1-(2-fluoro-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 8-bromo-6-chloro-1-(2-fluoro-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 8-bromo-6-chloro-1-(2-fluoro-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinoline is FC1CC2(C1)CC(N1CCCc3cc(Cl)cc(Br)c31)CN2.
What is the InChIKey of 8-bromo-6-chloro-1-(2-fluoro-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is SWUVIRVFNLDBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClFN2/c17-14-5-11(18)4-10-2-1-3-21(15(10)14)13-8-16(20-9-13)6-12(19)7-16/h4-5,12-13,20H,1-3,6-9H2.
What are the key properties of 8-bromo-6-chloro-1-(2-fluoro-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinoline?
8-bromo-6-chloro-1-(2-fluoro-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 373.70 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-1-(2-fluoro-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 171574988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).