N-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine

C17H16BrN3 — CID 65384916

IUPACN-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine
SMILESNCC(Nc1ccc(Br)cc1)c1cccc2cccnc12
InChIInChI=1S/C17H16BrN3/c18-13-6-8-14(9-7-13)21-16(11-19)15-5-1-3-12-4-2-10-20-17(12)15/h1-10,16,21H,11,19H2
InChIKeyPTRCWFWHIJJPTA-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.11
Rot. Bonds4

About N-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine

N-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine (PubChem CID 65384916) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine
PubChem CID65384916
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC NameN-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine
SMILESNCC(Nc1ccc(Br)cc1)c1cccc2cccnc12
InChIInChI=1S/C17H16BrN3/c18-13-6-8-14(9-7-13)21-16(11-19)15-5-1-3-12-4-2-10-20-17(12)15/h1-10,16,21H,11,19H2
InChIKeyPTRCWFWHIJJPTA-UHFFFAOYSA-N
XLogP4.11
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine
CID 65378756
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
N-(4-bromophenyl)-1-(2,3-dichlorophenyl)ethane-1,2-diamine
CID 65385758
4-chloro-N-(1-quinolin-8-ylbut-3-enyl)aniline
CID 10709976
5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol
CID 107316843
N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine
CID 65385341
N-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine
CID 114616018
1-(4-bromophenyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 78917786
N-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine
CID 83010794
3-methyl-2-quinolin-8-ylbutan-1-amine
CID 83886423
N-(3-methylcyclopentyl)-1-quinolin-8-ylethane-1,2-diamine
CID 114544546
[2-(5-bromothiophen-2-yl)-1-quinolin-8-ylethyl]hydrazine
CID 105295729

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine?
The IUPAC name of N-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine (CID 65384916) is N-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine.
What is the SMILES notation for N-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine?
The canonical SMILES for N-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine is NCC(Nc1ccc(Br)cc1)c1cccc2cccnc12.
What is the InChIKey of N-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine?
The InChIKey is PTRCWFWHIJJPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c18-13-6-8-14(9-7-13)21-16(11-19)15-5-1-3-12-4-2-10-20-17(12)15/h1-10,16,21H,11,19H2.
What are the key properties of N-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine?
N-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine has a molecular weight of 342.24 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine is sourced from PubChem (CID 65384916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).