N-(7-bromoquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine

C23H36BrN3 — CID 10550790

IUPACN-(7-bromoquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine
SMILESCCN(CC)CCCCCCCCCCNc1ccnc2cc(Br)ccc12
InChIInChI=1S/C23H36BrN3/c1-3-27(4-2)18-12-10-8-6-5-7-9-11-16-25-22-15-17-26-23-19-20(24)13-14-21(22)23/h13-15,17,19H,3-12,16,18H2,1-2H3,(H,25,26)
InChIKeyIORURFPLEGRNBH-UHFFFAOYSA-N
MW434.47 g/mol
LogP6.87
Rot. Bonds14

About N-(7-bromoquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine

N-(7-bromoquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine (PubChem CID 10550790) has the molecular formula C23H36BrN3 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-(7-bromoquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine.

Molecular Properties

Compound NameN-(7-bromoquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine
PubChem CID10550790
Molecular FormulaC23H36BrN3
Molecular Weight434.47 g/mol
Exact Mass433.21
IUPAC NameN-(7-bromoquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine
SMILESCCN(CC)CCCCCCCCCCNc1ccnc2cc(Br)ccc12
InChIInChI=1S/C23H36BrN3/c1-3-27(4-2)18-12-10-8-6-5-7-9-11-16-25-22-15-17-26-23-19-20(24)13-14-21(22)23/h13-15,17,19H,3-12,16,18H2,1-2H3,(H,25,26)
InChIKeyIORURFPLEGRNBH-UHFFFAOYSA-N
XLogP6.87
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(7-bromoquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(7-bromoquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine?
The IUPAC name of N-(7-bromoquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine (CID 10550790) is N-(7-bromoquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine.
What is the SMILES notation for N-(7-bromoquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine?
The canonical SMILES for N-(7-bromoquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine is CCN(CC)CCCCCCCCCCNc1ccnc2cc(Br)ccc12.
What is the InChIKey of N-(7-bromoquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine?
The InChIKey is IORURFPLEGRNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36BrN3/c1-3-27(4-2)18-12-10-8-6-5-7-9-11-16-25-22-15-17-26-23-19-20(24)13-14-21(22)23/h13-15,17,19H,3-12,16,18H2,1-2H3,(H,25,26).
What are the key properties of N-(7-bromoquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine?
N-(7-bromoquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine has a molecular weight of 434.47 g/mol, XLogP of 6.87, 14 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'-diethyldecane-1,10-diamine is sourced from PubChem (CID 10550790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).