1-[5-(3-bromoquinolin-8-yl)furan-2-yl]-N-methylpropan-1-amine

C17H17BrN2O — CID 116785313

IUPAC1-[5-(3-bromoquinolin-8-yl)furan-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2cccc3cc(Br)cnc23)o1
InChIInChI=1S/C17H17BrN2O/c1-3-14(19-2)16-8-7-15(21-16)13-6-4-5-11-9-12(18)10-20-17(11)13/h4-10,14,19H,3H2,1-2H3
InChIKeyGLHDTKSSYTYZMB-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.93
Rot. Bonds4

About 1-[5-(3-bromoquinolin-8-yl)furan-2-yl]-N-methylpropan-1-amine

1-[5-(3-bromoquinolin-8-yl)furan-2-yl]-N-methylpropan-1-amine (PubChem CID 116785313) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 1-[5-(3-bromoquinolin-8-yl)furan-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-bromoquinolin-8-yl)furan-2-yl]-N-methylpropan-1-amine
PubChem CID116785313
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name1-[5-(3-bromoquinolin-8-yl)furan-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2cccc3cc(Br)cnc23)o1
InChIInChI=1S/C17H17BrN2O/c1-3-14(19-2)16-8-7-15(21-16)13-6-4-5-11-9-12(18)10-20-17(11)13/h4-10,14,19H,3H2,1-2H3
InChIKeyGLHDTKSSYTYZMB-UHFFFAOYSA-N
XLogP4.93
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine
CID 116783292
1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 62633115
1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 55097922
N-[[5-(3-bromoquinolin-8-yl)thiophen-2-yl]methyl]propan-2-amine
CID 116785277
1-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 62633275
N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-1-amine
CID 79778928
N-methyl-1-(5-quinolin-8-ylfuran-2-yl)propan-2-amine
CID 63085974
2-[(3-bromoquinolin-8-yl)sulfamoyl]butanethioamide
CID 116784591
1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-1-amine
CID 103481081
3-bromo-N-(3-ethoxypropyl)quinolin-8-amine
CID 116784215
1-[5-(5-bromo-2-methylphenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 63398851

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromoquinolin-8-yl)furan-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[5-(3-bromoquinolin-8-yl)furan-2-yl]-N-methylpropan-1-amine (CID 116785313) is 1-[5-(3-bromoquinolin-8-yl)furan-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(3-bromoquinolin-8-yl)furan-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[5-(3-bromoquinolin-8-yl)furan-2-yl]-N-methylpropan-1-amine is CCC(NC)c1ccc(-c2cccc3cc(Br)cnc23)o1.
What is the InChIKey of 1-[5-(3-bromoquinolin-8-yl)furan-2-yl]-N-methylpropan-1-amine?
The InChIKey is GLHDTKSSYTYZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-3-14(19-2)16-8-7-15(21-16)13-6-4-5-11-9-12(18)10-20-17(11)13/h4-10,14,19H,3H2,1-2H3.
What are the key properties of 1-[5-(3-bromoquinolin-8-yl)furan-2-yl]-N-methylpropan-1-amine?
1-[5-(3-bromoquinolin-8-yl)furan-2-yl]-N-methylpropan-1-amine has a molecular weight of 345.24 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromoquinolin-8-yl)furan-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 116785313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).