N-(3-bromophenyl)-2,8-dimethylquinolin-4-amine

C17H15BrN2 — CID 772388

IUPACN-(3-bromophenyl)-2,8-dimethylquinolin-4-amine
SMILESCc1cc(Nc2cccc(Br)c2)c2cccc(C)c2n1
InChIInChI=1S/C17H15BrN2/c1-11-5-3-8-15-16(9-12(2)19-17(11)15)20-14-7-4-6-13(18)10-14/h3-10H,1-2H3,(H,19,20)
InChIKeySGNFPAMWMYLSBJ-UHFFFAOYSA-N
MW327.23 g/mol
LogP5.36
Rot. Bonds2

About N-(3-bromophenyl)-2,8-dimethylquinolin-4-amine

N-(3-bromophenyl)-2,8-dimethylquinolin-4-amine (PubChem CID 772388) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is N-(3-bromophenyl)-2,8-dimethylquinolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-2,8-dimethylquinolin-4-amine
PubChem CID772388
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC NameN-(3-bromophenyl)-2,8-dimethylquinolin-4-amine
SMILESCc1cc(Nc2cccc(Br)c2)c2cccc(C)c2n1
InChIInChI=1S/C17H15BrN2/c1-11-5-3-8-15-16(9-12(2)19-17(11)15)20-14-7-4-6-13(18)10-14/h3-10H,1-2H3,(H,19,20)
InChIKeySGNFPAMWMYLSBJ-UHFFFAOYSA-N
XLogP5.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.23
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2,8-dimethylquinolin-4-amine?
The IUPAC name of N-(3-bromophenyl)-2,8-dimethylquinolin-4-amine (CID 772388) is N-(3-bromophenyl)-2,8-dimethylquinolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-2,8-dimethylquinolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-2,8-dimethylquinolin-4-amine is Cc1cc(Nc2cccc(Br)c2)c2cccc(C)c2n1.
What is the InChIKey of N-(3-bromophenyl)-2,8-dimethylquinolin-4-amine?
The InChIKey is SGNFPAMWMYLSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c1-11-5-3-8-15-16(9-12(2)19-17(11)15)20-14-7-4-6-13(18)10-14/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(3-bromophenyl)-2,8-dimethylquinolin-4-amine?
N-(3-bromophenyl)-2,8-dimethylquinolin-4-amine has a molecular weight of 327.23 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2,8-dimethylquinolin-4-amine is sourced from PubChem (CID 772388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).