N-(3-bromoquinolin-8-yl)-1-(furan-3-yl)ethane-1,2-diamine

C15H14BrN3O — CID 116783701

IUPACN-(3-bromoquinolin-8-yl)-1-(furan-3-yl)ethane-1,2-diamine
SMILESNCC(Nc1cccc2cc(Br)cnc12)c1ccoc1
InChIInChI=1S/C15H14BrN3O/c16-12-6-10-2-1-3-13(15(10)18-8-12)19-14(7-17)11-4-5-20-9-11/h1-6,8-9,14,19H,7,17H2
InChIKeyFCQIGIYGFUGTIS-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.70
Rot. Bonds4

About N-(3-bromoquinolin-8-yl)-1-(furan-3-yl)ethane-1,2-diamine

N-(3-bromoquinolin-8-yl)-1-(furan-3-yl)ethane-1,2-diamine (PubChem CID 116783701) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is N-(3-bromoquinolin-8-yl)-1-(furan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromoquinolin-8-yl)-1-(furan-3-yl)ethane-1,2-diamine
PubChem CID116783701
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC NameN-(3-bromoquinolin-8-yl)-1-(furan-3-yl)ethane-1,2-diamine
SMILESNCC(Nc1cccc2cc(Br)cnc12)c1ccoc1
InChIInChI=1S/C15H14BrN3O/c16-12-6-10-2-1-3-13(15(10)18-8-12)19-14(7-17)11-4-5-20-9-11/h1-6,8-9,14,19H,7,17H2
InChIKeyFCQIGIYGFUGTIS-UHFFFAOYSA-N
XLogP3.70
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine
CID 116783292
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
N-(3-bromoquinolin-8-yl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 116783724
3-bromo-N-(1-phenylethyl)quinolin-8-amine
CID 116783523
3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine
CID 116783273
3-bromo-N-but-3-yn-2-ylquinolin-8-amine
CID 116784222
3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine
CID 116783437
4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide
CID 116784378
ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate
CID 116784288
ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate
CID 116784151
4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine
CID 116785861
3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine
CID 116784312

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoquinolin-8-yl)-1-(furan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(3-bromoquinolin-8-yl)-1-(furan-3-yl)ethane-1,2-diamine (CID 116783701) is N-(3-bromoquinolin-8-yl)-1-(furan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-bromoquinolin-8-yl)-1-(furan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3-bromoquinolin-8-yl)-1-(furan-3-yl)ethane-1,2-diamine is NCC(Nc1cccc2cc(Br)cnc12)c1ccoc1.
What is the InChIKey of N-(3-bromoquinolin-8-yl)-1-(furan-3-yl)ethane-1,2-diamine?
The InChIKey is FCQIGIYGFUGTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c16-12-6-10-2-1-3-13(15(10)18-8-12)19-14(7-17)11-4-5-20-9-11/h1-6,8-9,14,19H,7,17H2.
What are the key properties of N-(3-bromoquinolin-8-yl)-1-(furan-3-yl)ethane-1,2-diamine?
N-(3-bromoquinolin-8-yl)-1-(furan-3-yl)ethane-1,2-diamine has a molecular weight of 332.20 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoquinolin-8-yl)-1-(furan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 116783701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).