6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine

C14H18BrN3O — CID 61102494

IUPAC6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine
SMILESCN(C)CCCOc1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C14H18BrN3O/c1-18(2)6-3-7-19-14-11-8-10(15)4-5-13(11)17-9-12(14)16/h4-5,8-9H,3,6-7,16H2,1-2H3
InChIKeyJLZLGQJEWXMQLX-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.91
Rot. Bonds5

About 6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine

6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine (PubChem CID 61102494) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine.

Molecular Properties

Compound Name6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine
PubChem CID61102494
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine
SMILESCN(C)CCCOc1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C14H18BrN3O/c1-18(2)6-3-7-19-14-11-8-10(15)4-5-13(11)17-9-12(14)16/h4-5,8-9H,3,6-7,16H2,1-2H3
InChIKeyJLZLGQJEWXMQLX-UHFFFAOYSA-N
XLogP2.91
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(dimethylamino)propoxy]quinolin-3-amine
CID 103963698
6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine
CID 43621177
6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine
CID 43621365
5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine
CID 103518774
6-bromo-4-phenoxyquinolin-3-amine
CID 43621409
6-bromo-4-(3-bromophenoxy)quinolin-3-amine
CID 43621410
6-bromo-4-(2-fluoro-5-methylphenoxy)quinolin-3-amine
CID 64854002
6-bromo-4-[(3-chlorophenyl)methoxy]quinolin-3-amine
CID 65126875
6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine
CID 55125947
3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine
CID 106949847
6-bromo-4-(1-propylpyrazol-4-yl)oxyquinolin-3-amine
CID 116800405
3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine
CID 114525429

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine?
The IUPAC name of 6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine (CID 61102494) is 6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine.
What is the SMILES notation for 6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine?
The canonical SMILES for 6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine is CN(C)CCCOc1c(N)cnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine?
The InChIKey is JLZLGQJEWXMQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-18(2)6-3-7-19-14-11-8-10(15)4-5-13(11)17-9-12(14)16/h4-5,8-9H,3,6-7,16H2,1-2H3.
What are the key properties of 6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine?
6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine has a molecular weight of 324.22 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine is sourced from PubChem (CID 61102494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).