7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine

C19H20BrN3 — CID 44532072

IUPAC7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine
SMILESCc1cc2ccc(CNCCc3ccccc3Br)cc2nc1N
InChIInChI=1S/C19H20BrN3/c1-13-10-16-7-6-14(11-18(16)23-19(13)21)12-22-9-8-15-4-2-3-5-17(15)20/h2-7,10-11,22H,8-9,12H2,1H3,(H2,21,23)
InChIKeyNXPQONOEQSYKHL-UHFFFAOYSA-N
MW370.29 g/mol
LogP4.22
Rot. Bonds5

About 7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine

7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine (PubChem CID 44532072) has the molecular formula C19H20BrN3 and a molecular weight of 370.29 g/mol. Its IUPAC name is 7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine.

Molecular Properties

Compound Name7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine
PubChem CID44532072
Molecular FormulaC19H20BrN3
Molecular Weight370.29 g/mol
Exact Mass369.08
IUPAC Name7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine
SMILESCc1cc2ccc(CNCCc3ccccc3Br)cc2nc1N
InChIInChI=1S/C19H20BrN3/c1-13-10-16-7-6-14(11-18(16)23-19(13)21)12-22-9-8-15-4-2-3-5-17(15)20/h2-7,10-11,22H,8-9,12H2,1H3,(H2,21,23)
InChIKeyNXPQONOEQSYKHL-UHFFFAOYSA-N
XLogP4.22
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine?
The IUPAC name of 7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine (CID 44532072) is 7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine.
What is the SMILES notation for 7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine?
The canonical SMILES for 7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine is Cc1cc2ccc(CNCCc3ccccc3Br)cc2nc1N.
What is the InChIKey of 7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine?
The InChIKey is NXPQONOEQSYKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3/c1-13-10-16-7-6-14(11-18(16)23-19(13)21)12-22-9-8-15-4-2-3-5-17(15)20/h2-7,10-11,22H,8-9,12H2,1H3,(H2,21,23).
What are the key properties of 7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine?
7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine has a molecular weight of 370.29 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine is sourced from PubChem (CID 44532072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).