1-[(5-amino-3-bromoquinolin-8-yl)-ethylamino]-2-methylpropan-2-ol

C15H20BrN3O — CID 106949490

IUPAC1-[(5-amino-3-bromoquinolin-8-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C15H20BrN3O/c1-4-19(9-15(2,3)20)13-6-5-12(17)11-7-10(16)8-18-14(11)13/h5-8,20H,4,9,17H2,1-3H3
InChIKeyZLZUTBLYYUZRRI-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.18
Rot. Bonds4

About 1-[(5-amino-3-bromoquinolin-8-yl)-ethylamino]-2-methylpropan-2-ol

1-[(5-amino-3-bromoquinolin-8-yl)-ethylamino]-2-methylpropan-2-ol (PubChem CID 106949490) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-[(5-amino-3-bromoquinolin-8-yl)-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-amino-3-bromoquinolin-8-yl)-ethylamino]-2-methylpropan-2-ol
PubChem CID106949490
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name1-[(5-amino-3-bromoquinolin-8-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C15H20BrN3O/c1-4-19(9-15(2,3)20)13-6-5-12(17)11-7-10(16)8-18-14(11)13/h5-8,20H,4,9,17H2,1-3H3
InChIKeyZLZUTBLYYUZRRI-UHFFFAOYSA-N
XLogP3.18
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-3-bromoquinolin-8-yl)-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(5-amino-3-bromoquinolin-8-yl)-ethylamino]-2-methylpropan-2-ol (CID 106949490) is 1-[(5-amino-3-bromoquinolin-8-yl)-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(5-amino-3-bromoquinolin-8-yl)-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(5-amino-3-bromoquinolin-8-yl)-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1ccc(N)c2cc(Br)cnc12.
What is the InChIKey of 1-[(5-amino-3-bromoquinolin-8-yl)-ethylamino]-2-methylpropan-2-ol?
The InChIKey is ZLZUTBLYYUZRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-4-19(9-15(2,3)20)13-6-5-12(17)11-7-10(16)8-18-14(11)13/h5-8,20H,4,9,17H2,1-3H3.
What are the key properties of 1-[(5-amino-3-bromoquinolin-8-yl)-ethylamino]-2-methylpropan-2-ol?
1-[(5-amino-3-bromoquinolin-8-yl)-ethylamino]-2-methylpropan-2-ol has a molecular weight of 338.25 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-3-bromoquinolin-8-yl)-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 106949490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).