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

C19H21BrN2 — CID 1207840

IUPAC4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
SMILES[H]/N=c1/c2c(n(Cc3ccc(Br)cc3)c3c1CCC3)CCCC2
InChIInChI=1S/C19H21BrN2/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/b21-19-
InChIKeyYEJLKGBVTVLUJU-VZCXRCSSSA-N
MW357.30 g/mol
LogP4.15
Rot. Bonds2

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

4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine (PubChem CID 1207840) has the molecular formula C19H21BrN2 and a molecular weight of 357.30 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
PubChem CID1207840
Molecular FormulaC19H21BrN2
Molecular Weight357.30 g/mol
Exact Mass356.09
IUPAC Name4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
SMILES[H]/N=c1/c2c(n(Cc3ccc(Br)cc3)c3c1CCC3)CCCC2
InChIInChI=1S/C19H21BrN2/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/b21-19-
InChIKeyYEJLKGBVTVLUJU-VZCXRCSSSA-N
XLogP4.15
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 54.15
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 with MolForge

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Related Compounds

4-(4-bromobenzyl)-1,2,3,4,5,6,7,8-octahydro-9H-cyclopenta[b]quinolin-9-imine
CID 15945727
4-benzyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine
CID 659366
4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
CID 828168
4-benzyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine hydrochloride
CID 6603247
CID 16193001
CID 16193001
4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride
CID 44522064
[4-(4-fluorobenzyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-ylidene]amine;hydrochloride
CID 828174
4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine bromide
CID 53347560
2-Benzyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine chloride
CID 53312761
4-[(4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine chloride
CID 53350765
[1-[1-(4-bromophenyl)ethyl]-2H-pyridin-5-yl]methanamine
CID 22663662
5-(4-Bromobutyl)-3-imino-6-phenyl-1,2-dihydrophenanthridin-8-amine
CID 54172160

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?
The IUPAC name of 4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine (CID 1207840) is 4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine.
What is the SMILES notation for 4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
The canonical SMILES for 4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine is [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?
The InChIKey is YEJLKGBVTVLUJU-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H21BrN2/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/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?
4-[(4-bromophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine has a molecular weight of 357.30 g/mol, XLogP of 4.15, 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 is sourced from PubChem (CID 1207840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).