N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine

C15H14BrN3O2 — CID 79078552

IUPACN-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESO=[N+]([O-])c1ccc(NC2CCCc3cccnc32)c(Br)c1
InChIInChI=1S/C15H14BrN3O2/c16-12-9-11(19(20)21)6-7-13(12)18-14-5-1-3-10-4-2-8-17-15(10)14/h2,4,6-9,14,18H,1,3,5H2
InChIKeyIVRHSWMIEJJXRV-UHFFFAOYSA-N
MW348.20 g/mol
LogP4.24
Rot. Bonds3

About N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine

N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 79078552) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID79078552
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC NameN-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESO=[N+]([O-])c1ccc(NC2CCCc3cccnc32)c(Br)c1
InChIInChI=1S/C15H14BrN3O2/c16-12-9-11(19(20)21)6-7-13(12)18-14-5-1-3-10-4-2-8-17-15(10)14/h2,4,6-9,14,18H,1,3,5H2
InChIKeyIVRHSWMIEJJXRV-UHFFFAOYSA-N
XLogP4.24
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43742304
N-(2-bromo-4-methyl-5-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774247
2-bromo-N-cyclopentyl-4-nitroaniline
CID 2767819
N-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773966
1-(2-bromo-4-nitroanilino)-2,3-dihydro-1H-inden-4-ol
CID 43742368
N-(2-bromo-4-nitrophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149127
N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079828
N-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079954
N-(2-bromo-4-nitrophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83067494
N-(4-bromo-2,6-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078755
4-nitro-1-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 62506812
N-(2-methyl-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43719937

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 79078552) is N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine is O=[N+]([O-])c1ccc(NC2CCCc3cccnc32)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is IVRHSWMIEJJXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c16-12-9-11(19(20)21)6-7-13(12)18-14-5-1-3-10-4-2-8-17-15(10)14/h2,4,6-9,14,18H,1,3,5H2.
What are the key properties of N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine?
N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 348.20 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 79078552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).