7-bromo-2-chloroquinoline;2-methylpropan-2-amine

C13H16BrClN2 — CID 135311981

IUPAC7-bromo-2-chloroquinoline;2-methylpropan-2-amine
SMILESCC(C)(C)N.Clc1ccc2ccc(Br)cc2n1
InChIInChI=1S/C9H5BrClN.C4H11N/c10-7-3-1-6-2-4-9(11)12-8(6)5-7;1-4(2,3)5/h1-5H;5H2,1-3H3
InChIKeyAYKYIICULHVQDN-UHFFFAOYSA-N
MW315.64 g/mol
LogP4.39
Rot. Bonds

About 7-bromo-2-chloroquinoline;2-methylpropan-2-amine

7-bromo-2-chloroquinoline;2-methylpropan-2-amine (PubChem CID 135311981) has the molecular formula C13H16BrClN2 and a molecular weight of 315.64 g/mol. Its IUPAC name is 7-bromo-2-chloroquinoline;2-methylpropan-2-amine.

Molecular Properties

Compound Name7-bromo-2-chloroquinoline;2-methylpropan-2-amine
PubChem CID135311981
Molecular FormulaC13H16BrClN2
Molecular Weight315.64 g/mol
Exact Mass314.02
IUPAC Name7-bromo-2-chloroquinoline;2-methylpropan-2-amine
SMILESCC(C)(C)N.Clc1ccc2ccc(Br)cc2n1
InChIInChI=1S/C9H5BrClN.C4H11N/c10-7-3-1-6-2-4-9(11)12-8(6)5-7;1-4(2,3)5/h1-5H;5H2,1-3H3
InChIKeyAYKYIICULHVQDN-UHFFFAOYSA-N
XLogP4.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.64
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-bromo-2-chloroquinoline;2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloroquinoline;2-methylpropan-2-amine?
The IUPAC name of 7-bromo-2-chloroquinoline;2-methylpropan-2-amine (CID 135311981) is 7-bromo-2-chloroquinoline;2-methylpropan-2-amine.
What is the SMILES notation for 7-bromo-2-chloroquinoline;2-methylpropan-2-amine?
The canonical SMILES for 7-bromo-2-chloroquinoline;2-methylpropan-2-amine is CC(C)(C)N.Clc1ccc2ccc(Br)cc2n1.
What is the InChIKey of 7-bromo-2-chloroquinoline;2-methylpropan-2-amine?
The InChIKey is AYKYIICULHVQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN.C4H11N/c10-7-3-1-6-2-4-9(11)12-8(6)5-7;1-4(2,3)5/h1-5H;5H2,1-3H3.
What are the key properties of 7-bromo-2-chloroquinoline;2-methylpropan-2-amine?
7-bromo-2-chloroquinoline;2-methylpropan-2-amine has a molecular weight of 315.64 g/mol, XLogP of 4.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-chloroquinoline;2-methylpropan-2-amine is sourced from PubChem (CID 135311981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).