N-(7-bromoquinolin-4-yl)-N',N'-diethylethane-1,2-diamine

C15H20BrN3 — CID 10245549

IUPACN-(7-bromoquinolin-4-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccnc2cc(Br)ccc12
InChIInChI=1S/C15H20BrN3/c1-3-19(4-2)10-9-18-14-7-8-17-15-11-12(16)5-6-13(14)15/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyYXXOODVACANNJZ-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.75
Rot. Bonds6

About N-(7-bromoquinolin-4-yl)-N',N'-diethylethane-1,2-diamine

N-(7-bromoquinolin-4-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 10245549) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is N-(7-bromoquinolin-4-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(7-bromoquinolin-4-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID10245549
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC NameN-(7-bromoquinolin-4-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccnc2cc(Br)ccc12
InChIInChI=1S/C15H20BrN3/c1-3-19(4-2)10-9-18-14-7-8-17-15-11-12(16)5-6-13(14)15/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyYXXOODVACANNJZ-UHFFFAOYSA-N
XLogP3.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-bromoquinolin-4-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(7-bromoquinolin-4-yl)-N',N'-diethylethane-1,2-diamine (CID 10245549) is N-(7-bromoquinolin-4-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(7-bromoquinolin-4-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(7-bromoquinolin-4-yl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1ccnc2cc(Br)ccc12.
What is the InChIKey of N-(7-bromoquinolin-4-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is YXXOODVACANNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-3-19(4-2)10-9-18-14-7-8-17-15-11-12(16)5-6-13(14)15/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-(7-bromoquinolin-4-yl)-N',N'-diethylethane-1,2-diamine?
N-(7-bromoquinolin-4-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 322.25 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromoquinolin-4-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 10245549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).