N-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride

C21H16BrClN2 — CID 139593880

IUPACN-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride
SMILESBrc1ccc(Nc2cc(-c3ccccc3)nc3ccccc23)cc1.Cl
InChIInChI=1S/C21H15BrN2.ClH/c22-16-10-12-17(13-11-16)23-21-14-20(15-6-2-1-3-7-15)24-19-9-5-4-8-18(19)21;/h1-14H,(H,23,24);1H
InChIKeyKNXMOPOWHMQALM-UHFFFAOYSA-N
MW411.73 g/mol
LogP6.83
Rot. Bonds3

About N-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride

N-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride (PubChem CID 139593880) has the molecular formula C21H16BrClN2 and a molecular weight of 411.73 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride
PubChem CID139593880
Molecular FormulaC21H16BrClN2
Molecular Weight411.73 g/mol
Exact Mass410.02
IUPAC NameN-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride
SMILESBrc1ccc(Nc2cc(-c3ccccc3)nc3ccccc23)cc1.Cl
InChIInChI=1S/C21H15BrN2.ClH/c22-16-10-12-17(13-11-16)23-21-14-20(15-6-2-1-3-7-15)24-19-9-5-4-8-18(19)21;/h1-14H,(H,23,24);1H
InChIKeyKNXMOPOWHMQALM-UHFFFAOYSA-N
XLogP6.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.73
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-bis(4-methoxyphenyl)quinolin-4-amine
CID 10981160
4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol
CID 10882081
2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine
CID 139593926
methyl 4-(4-bromoanilino)quinoline-2-carboxylate
CID 45499074
N,N'-bis(2-phenylquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531954
2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride
CID 18432992
4-anilino-2-phenylquinolin-8-ol
CID 91486521
3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride
CID 90459061
4-bromo-N-(4-bromophenyl)-2-(2-phenylphenyl)aniline
CID 141276570
2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 3475235
N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)quinolin-4-amine
CID 11717826
2-phenylquinolin-4-amine;hydrochloride
CID 134690731

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride?
The IUPAC name of N-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride (CID 139593880) is N-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride?
The canonical SMILES for N-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride is Brc1ccc(Nc2cc(-c3ccccc3)nc3ccccc23)cc1.Cl.
What is the InChIKey of N-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride?
The InChIKey is KNXMOPOWHMQALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2.ClH/c22-16-10-12-17(13-11-16)23-21-14-20(15-6-2-1-3-7-15)24-19-9-5-4-8-18(19)21;/h1-14H,(H,23,24);1H.
What are the key properties of N-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride?
N-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride has a molecular weight of 411.73 g/mol, XLogP of 6.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride is sourced from PubChem (CID 139593880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).