2-N-(3-bromoquinolin-8-yl)-3-methoxy-2-methylpropane-1,2-diamine

C14H18BrN3O — CID 116783715

IUPAC2-N-(3-bromoquinolin-8-yl)-3-methoxy-2-methylpropane-1,2-diamine
SMILESCOCC(C)(CN)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C14H18BrN3O/c1-14(8-16,9-19-2)18-12-5-3-4-10-6-11(15)7-17-13(10)12/h3-7,18H,8-9,16H2,1-2H3
InChIKeyXPYNCMNPCPYNIE-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.77
Rot. Bonds5

About 2-N-(3-bromoquinolin-8-yl)-3-methoxy-2-methylpropane-1,2-diamine

2-N-(3-bromoquinolin-8-yl)-3-methoxy-2-methylpropane-1,2-diamine (PubChem CID 116783715) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-N-(3-bromoquinolin-8-yl)-3-methoxy-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-bromoquinolin-8-yl)-3-methoxy-2-methylpropane-1,2-diamine
PubChem CID116783715
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name2-N-(3-bromoquinolin-8-yl)-3-methoxy-2-methylpropane-1,2-diamine
SMILESCOCC(C)(CN)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C14H18BrN3O/c1-14(8-16,9-19-2)18-12-5-3-4-10-6-11(15)7-17-13(10)12/h3-7,18H,8-9,16H2,1-2H3
InChIKeyXPYNCMNPCPYNIE-UHFFFAOYSA-N
XLogP2.77
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromoquinolin-8-yl)-3-methoxy-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(3-bromoquinolin-8-yl)-3-methoxy-2-methylpropane-1,2-diamine (CID 116783715) is 2-N-(3-bromoquinolin-8-yl)-3-methoxy-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3-bromoquinolin-8-yl)-3-methoxy-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3-bromoquinolin-8-yl)-3-methoxy-2-methylpropane-1,2-diamine is COCC(C)(CN)Nc1cccc2cc(Br)cnc12.
What is the InChIKey of 2-N-(3-bromoquinolin-8-yl)-3-methoxy-2-methylpropane-1,2-diamine?
The InChIKey is XPYNCMNPCPYNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-14(8-16,9-19-2)18-12-5-3-4-10-6-11(15)7-17-13(10)12/h3-7,18H,8-9,16H2,1-2H3.
What are the key properties of 2-N-(3-bromoquinolin-8-yl)-3-methoxy-2-methylpropane-1,2-diamine?
2-N-(3-bromoquinolin-8-yl)-3-methoxy-2-methylpropane-1,2-diamine has a molecular weight of 324.22 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromoquinolin-8-yl)-3-methoxy-2-methylpropane-1,2-diamine is sourced from PubChem (CID 116783715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).