3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine

C16H15BrN2O — CID 116783292

IUPAC3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine
SMILESCCC(Nc1cccc2cc(Br)cnc12)c1ccco1
InChIInChI=1S/C16H15BrN2O/c1-2-13(15-7-4-8-20-15)19-14-6-3-5-11-9-12(17)10-18-16(11)14/h3-10,13,19H,2H2,1H3
InChIKeyCFDISTAGQIDWKS-UHFFFAOYSA-N
MW331.21 g/mol
LogP5.15
Rot. Bonds4

About 3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine

3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine (PubChem CID 116783292) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine
PubChem CID116783292
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine
SMILESCCC(Nc1cccc2cc(Br)cnc12)c1ccco1
InChIInChI=1S/C16H15BrN2O/c1-2-13(15-7-4-8-20-15)19-14-6-3-5-11-9-12(17)10-18-16(11)14/h3-10,13,19H,2H2,1H3
InChIKeyCFDISTAGQIDWKS-UHFFFAOYSA-N
XLogP5.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.21
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine
CID 114051949
5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline
CID 62632359
4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline
CID 81292021
3-bromo-N-but-3-yn-2-ylquinolin-8-amine
CID 116784222
3-bromo-N-(1-phenylethyl)quinolin-8-amine
CID 116783523
3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine
CID 116783273
4-bromo-N-[1-(furan-2-yl)propyl]-2-(trifluoromethyl)aniline
CID 63450598
ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate
CID 116784288
ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate
CID 116784151
2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine
CID 116783708
3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine
CID 116783437

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine?
The IUPAC name of 3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine (CID 116783292) is 3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine.
What is the SMILES notation for 3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine?
The canonical SMILES for 3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine is CCC(Nc1cccc2cc(Br)cnc12)c1ccco1.
What is the InChIKey of 3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine?
The InChIKey is CFDISTAGQIDWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-2-13(15-7-4-8-20-15)19-14-6-3-5-11-9-12(17)10-18-16(11)14/h3-10,13,19H,2H2,1H3.
What are the key properties of 3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine?
3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine has a molecular weight of 331.21 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine is sourced from PubChem (CID 116783292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).