3,4-bis(4-bromophenyl)quinolin-2-amine

C21H14Br2N2 — CID 166443638

IUPAC3,4-bis(4-bromophenyl)quinolin-2-amine
SMILESNc1nc2ccccc2c(-c2ccc(Br)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C21H14Br2N2/c22-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)25-21(24)20(19)14-7-11-16(23)12-8-14/h1-12H,(H2,24,25)
InChIKeyPOXIQLCCAGZVST-UHFFFAOYSA-N
MW454.17 g/mol
LogP6.68
Rot. Bonds2

About 3,4-bis(4-bromophenyl)quinolin-2-amine

3,4-bis(4-bromophenyl)quinolin-2-amine (PubChem CID 166443638) has the molecular formula C21H14Br2N2 and a molecular weight of 454.17 g/mol. Its IUPAC name is 3,4-bis(4-bromophenyl)quinolin-2-amine.

Molecular Properties

Compound Name3,4-bis(4-bromophenyl)quinolin-2-amine
PubChem CID166443638
Molecular FormulaC21H14Br2N2
Molecular Weight454.17 g/mol
Exact Mass451.95
IUPAC Name3,4-bis(4-bromophenyl)quinolin-2-amine
SMILESNc1nc2ccccc2c(-c2ccc(Br)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C21H14Br2N2/c22-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)25-21(24)20(19)14-7-11-16(23)12-8-14/h1-12H,(H2,24,25)
InChIKeyPOXIQLCCAGZVST-UHFFFAOYSA-N
XLogP6.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.17
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-bis(4-methylphenyl)quinolin-2-amine
CID 102531411
10-(4-bromophenyl)indeno[1,2-b]quinolin-11-one
CID 153437761
3-(aminomethyl)-4-phenylquinolin-2-amine
CID 10285988
4-(4-bromophenyl)-2,3-dihydrofuro[2,3-b]quinoline
CID 132600231
6-fluoro-3,4-diphenylquinolin-2-amine
CID 164679662
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
3-amino-2-(4-bromophenyl)quinazolin-4-one
CID 3604136
9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene
CID 142672624
2,3-bis(4-bromophenyl)-1,4-diphenyltriphenylene
CID 142683584
9-[4-(bromomethyl)phenyl]acridine
CID 10712694
2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58037722
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-bromophenyl)quinolin-2-amine?
The IUPAC name of 3,4-bis(4-bromophenyl)quinolin-2-amine (CID 166443638) is 3,4-bis(4-bromophenyl)quinolin-2-amine.
What is the SMILES notation for 3,4-bis(4-bromophenyl)quinolin-2-amine?
The canonical SMILES for 3,4-bis(4-bromophenyl)quinolin-2-amine is Nc1nc2ccccc2c(-c2ccc(Br)cc2)c1-c1ccc(Br)cc1.
What is the InChIKey of 3,4-bis(4-bromophenyl)quinolin-2-amine?
The InChIKey is POXIQLCCAGZVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Br2N2/c22-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)25-21(24)20(19)14-7-11-16(23)12-8-14/h1-12H,(H2,24,25).
What are the key properties of 3,4-bis(4-bromophenyl)quinolin-2-amine?
3,4-bis(4-bromophenyl)quinolin-2-amine has a molecular weight of 454.17 g/mol, XLogP of 6.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-bromophenyl)quinolin-2-amine is sourced from PubChem (CID 166443638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).