N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]propan-1-amine

C17H17BrN2O — CID 106858306

IUPACN-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccoc1Br)c1cccc2ncccc12
InChIInChI=1S/C17H17BrN2O/c1-2-9-20-16(14-8-11-21-17(14)18)13-5-3-7-15-12(13)6-4-10-19-15/h3-8,10-11,16,20H,2,9H2,1H3
InChIKeyBJSCZSWYBCXETK-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.68
Rot. Bonds5

About N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]propan-1-amine

N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]propan-1-amine (PubChem CID 106858306) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]propan-1-amine
PubChem CID106858306
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC NameN-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccoc1Br)c1cccc2ncccc12
InChIInChI=1S/C17H17BrN2O/c1-2-9-20-16(14-8-11-21-17(14)18)13-5-3-7-15-12(13)6-4-10-19-15/h3-8,10-11,16,20H,2,9H2,1H3
InChIKeyBJSCZSWYBCXETK-UHFFFAOYSA-N
XLogP4.68
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine
CID 106858308
N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 106857656
N-[(2-bromofuran-3-yl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 106858390
N-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine
CID 105184613
N-[(2-bromofuran-3-yl)-quinolin-6-ylmethyl]ethanamine
CID 106858324
2-methyl-N-propyl-1-quinolin-5-ylprop-2-en-1-amine
CID 105163698
N-[(2-bromofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 106857638
N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 106851675
N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine
CID 81232108
N-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 106858910
N-[pyridin-2-yl(quinolin-5-yl)methyl]ethanamine
CID 81220016
N-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 106851680

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]propan-1-amine (CID 106858306) is N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]propan-1-amine is CCCNC(c1ccoc1Br)c1cccc2ncccc12.
What is the InChIKey of N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]propan-1-amine?
The InChIKey is BJSCZSWYBCXETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-2-9-20-16(14-8-11-21-17(14)18)13-5-3-7-15-12(13)6-4-10-19-15/h3-8,10-11,16,20H,2,9H2,1H3.
What are the key properties of N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]propan-1-amine?
N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]propan-1-amine has a molecular weight of 345.24 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 106858306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).