4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine bromide

C19H21Br2N2- — CID 53347560

IUPAC4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine bromide
SMILES[Br-].[H]/N=c1/c2c(n(Cc3ccc(Br)cc3)c3c1CCC3)CCCC2
InChIInChI=1S/C19H21BrN2.BrH/c20-14-10-8-13(9-11-14)12-22-17-6-2-1-4-15(17)19(21)16-5-3-7-18(16)22;/h8-11,21H,1-7,12H2;1H/p-1/b21-19-;
InChIKeyHNKWEBJKYWTGOA-WQGAEACMSA-M
MW437.20 g/mol
LogP1.15
Rot. Bonds2

About 4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine bromide

4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine bromide (PubChem CID 53347560) has the molecular formula C19H21Br2N2- and a molecular weight of 437.20 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine bromide.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine bromide
PubChem CID53347560
Molecular FormulaC19H21Br2N2-
Molecular Weight437.20 g/mol
Exact Mass435.01
IUPAC Name4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine bromide
SMILES[Br-].[H]/N=c1/c2c(n(Cc3ccc(Br)cc3)c3c1CCC3)CCCC2
InChIInChI=1S/C19H21BrN2.BrH/c20-14-10-8-13(9-11-14)12-22-17-6-2-1-4-15(17)19(21)16-5-3-7-18(16)22;/h8-11,21H,1-7,12H2;1H/p-1/b21-19-;
InChIKeyHNKWEBJKYWTGOA-WQGAEACMSA-M
XLogP1.15
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine bromide?
The IUPAC name of 4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine bromide (CID 53347560) is 4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine bromide.
What is the SMILES notation for 4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine bromide?
The canonical SMILES for 4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine bromide is [Br-].[H]/N=c1/c2c(n(Cc3ccc(Br)cc3)c3c1CCC3)CCCC2.
What is the InChIKey of 4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine bromide?
The InChIKey is HNKWEBJKYWTGOA-WQGAEACMSA-M. The full InChI is InChI=1S/C19H21BrN2.BrH/c20-14-10-8-13(9-11-14)12-22-17-6-2-1-4-15(17)19(21)16-5-3-7-18(16)22;/h8-11,21H,1-7,12H2;1H/p-1/b21-19-;.
What are the key properties of 4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine bromide?
4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine bromide has a molecular weight of 437.20 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine bromide is sourced from PubChem (CID 53347560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).