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

C15H18BrN3O — CID 116783724

IUPACN-(3-bromoquinolin-8-yl)-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESNCC(Nc1cccc2cc(Br)cnc12)C1CCCO1
InChIInChI=1S/C15H18BrN3O/c16-11-7-10-3-1-4-12(15(10)18-9-11)19-13(8-17)14-5-2-6-20-14/h1,3-4,7,9,13-14,19H,2,5-6,8,17H2
InChIKeyMMODBAMCOMDGME-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.92
Rot. Bonds4

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

N-(3-bromoquinolin-8-yl)-1-(oxolan-2-yl)ethane-1,2-diamine (PubChem CID 116783724) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(3-bromoquinolin-8-yl)-1-(oxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromoquinolin-8-yl)-1-(oxolan-2-yl)ethane-1,2-diamine
PubChem CID116783724
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-(3-bromoquinolin-8-yl)-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESNCC(Nc1cccc2cc(Br)cnc12)C1CCCO1
InChIInChI=1S/C15H18BrN3O/c16-11-7-10-3-1-4-12(15(10)18-9-11)19-13(8-17)14-5-2-6-20-14/h1,3-4,7,9,13-14,19H,2,5-6,8,17H2
InChIKeyMMODBAMCOMDGME-UHFFFAOYSA-N
XLogP2.92
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-bromoquinolin-8-yl)-1-(oxolan-2-yl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82835319
3-bromo-N-(oxan-2-ylmethyl)quinolin-8-amine
CID 116784263
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
N-(3-bromoquinolin-8-yl)-1-(furan-3-yl)ethane-1,2-diamine
CID 116783701
N-(3-bromo-4-fluorophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 104776377
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine
CID 116783775
3-bromo-N-but-3-yn-2-ylquinolin-8-amine
CID 116784222
3-bromo-N-(1-phenylethyl)quinolin-8-amine
CID 116783523
N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-3-bromoquinolin-8-amine
CID 116783705
N-(3-bromoquinolin-8-yl)cyclopentanesulfonamide
CID 105361206
3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine
CID 116784312
3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine
CID 116783292

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoquinolin-8-yl)-1-(oxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(3-bromoquinolin-8-yl)-1-(oxolan-2-yl)ethane-1,2-diamine (CID 116783724) is N-(3-bromoquinolin-8-yl)-1-(oxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-bromoquinolin-8-yl)-1-(oxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3-bromoquinolin-8-yl)-1-(oxolan-2-yl)ethane-1,2-diamine is NCC(Nc1cccc2cc(Br)cnc12)C1CCCO1.
What is the InChIKey of N-(3-bromoquinolin-8-yl)-1-(oxolan-2-yl)ethane-1,2-diamine?
The InChIKey is MMODBAMCOMDGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c16-11-7-10-3-1-4-12(15(10)18-9-11)19-13(8-17)14-5-2-6-20-14/h1,3-4,7,9,13-14,19H,2,5-6,8,17H2.
What are the key properties of N-(3-bromoquinolin-8-yl)-1-(oxolan-2-yl)ethane-1,2-diamine?
N-(3-bromoquinolin-8-yl)-1-(oxolan-2-yl)ethane-1,2-diamine has a molecular weight of 336.23 g/mol, XLogP of 2.92, 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-(oxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 116783724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).