N-(4-bromophenyl)-4-methylquinolin-2-amine

C16H13BrN2 — CID 768745

IUPACN-(4-bromophenyl)-4-methylquinolin-2-amine
SMILESCc1cc(Nc2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C16H13BrN2/c1-11-10-16(18-13-8-6-12(17)7-9-13)19-15-5-3-2-4-14(11)15/h2-10H,1H3,(H,18,19)
InChIKeyJXZCUTPQSYPHMT-UHFFFAOYSA-N
MW313.20 g/mol
LogP5.05
Rot. Bonds2

About N-(4-bromophenyl)-4-methylquinolin-2-amine

N-(4-bromophenyl)-4-methylquinolin-2-amine (PubChem CID 768745) has the molecular formula C16H13BrN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-methylquinolin-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-methylquinolin-2-amine
PubChem CID768745
Molecular FormulaC16H13BrN2
Molecular Weight313.20 g/mol
Exact Mass312.03
IUPAC NameN-(4-bromophenyl)-4-methylquinolin-2-amine
SMILESCc1cc(Nc2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C16H13BrN2/c1-11-10-16(18-13-8-6-12(17)7-9-13)19-15-5-3-2-4-14(11)15/h2-10H,1H3,(H,18,19)
InChIKeyJXZCUTPQSYPHMT-UHFFFAOYSA-N
XLogP5.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.20
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-methylquinolin-2-amine?
The IUPAC name of N-(4-bromophenyl)-4-methylquinolin-2-amine (CID 768745) is N-(4-bromophenyl)-4-methylquinolin-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-4-methylquinolin-2-amine?
The canonical SMILES for N-(4-bromophenyl)-4-methylquinolin-2-amine is Cc1cc(Nc2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of N-(4-bromophenyl)-4-methylquinolin-2-amine?
The InChIKey is JXZCUTPQSYPHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2/c1-11-10-16(18-13-8-6-12(17)7-9-13)19-15-5-3-2-4-14(11)15/h2-10H,1H3,(H,18,19).
What are the key properties of N-(4-bromophenyl)-4-methylquinolin-2-amine?
N-(4-bromophenyl)-4-methylquinolin-2-amine has a molecular weight of 313.20 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-methylquinolin-2-amine is sourced from PubChem (CID 768745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).