N-(7-bromoquinolin-4-yl)-N',N'-diethyldodecane-1,12-diamine

C25H40BrN3 — CID 10600129

IUPACN-(7-bromoquinolin-4-yl)-N',N'-diethyldodecane-1,12-diamine
SMILESCCN(CC)CCCCCCCCCCCCNc1ccnc2cc(Br)ccc12
InChIInChI=1S/C25H40BrN3/c1-3-29(4-2)20-14-12-10-8-6-5-7-9-11-13-18-27-24-17-19-28-25-21-22(26)15-16-23(24)25/h15-17,19,21H,3-14,18,20H2,1-2H3,(H,27,28)
InChIKeyDJBUQUWFCUWJGE-UHFFFAOYSA-N
MW462.52 g/mol
LogP7.65
Rot. Bonds16

About N-(7-bromoquinolin-4-yl)-N',N'-diethyldodecane-1,12-diamine

N-(7-bromoquinolin-4-yl)-N',N'-diethyldodecane-1,12-diamine (PubChem CID 10600129) has the molecular formula C25H40BrN3 and a molecular weight of 462.52 g/mol. Its IUPAC name is N-(7-bromoquinolin-4-yl)-N',N'-diethyldodecane-1,12-diamine.

Molecular Properties

Compound NameN-(7-bromoquinolin-4-yl)-N',N'-diethyldodecane-1,12-diamine
PubChem CID10600129
Molecular FormulaC25H40BrN3
Molecular Weight462.52 g/mol
Exact Mass461.24
IUPAC NameN-(7-bromoquinolin-4-yl)-N',N'-diethyldodecane-1,12-diamine
SMILESCCN(CC)CCCCCCCCCCCCNc1ccnc2cc(Br)ccc12
InChIInChI=1S/C25H40BrN3/c1-3-29(4-2)20-14-12-10-8-6-5-7-9-11-13-18-27-24-17-19-28-25-21-22(26)15-16-23(24)25/h15-17,19,21H,3-14,18,20H2,1-2H3,(H,27,28)
InChIKeyDJBUQUWFCUWJGE-UHFFFAOYSA-N
XLogP7.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.52
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Aminoquinoline
CID 11911
4-Aminoquinoline
CID 68476
4-Piperazin-1-yl-quinoline
CID 1534386
7-Bromoquinoline
CID 521259
3-Bromoquinoline
CID 21413
Diethyl[4-(4-quinolylamino)pentyl]amine
CID 474865
Quinoline, 4-(2-diethylamino)ethylamino-
CID 10562205
5-Bromoquinoline
CID 817321
Quinoline, 7-bromo-4-(4-diethylamino-1-methyl)butylamino-
CID 3031733
6-Bromo-1,2,3,4-tetrahydroacridin-9-amine
CID 10802453
4-(2-Aminoethyl)aminoquinoline
CID 10821443
8-bromo-4,5,5-trimethyl-6H-benzo[c][2,7]naphthyridine
CID 25235287

Frequently Asked Questions

What is the IUPAC name of N-(7-bromoquinolin-4-yl)-N',N'-diethyldodecane-1,12-diamine?
The IUPAC name of N-(7-bromoquinolin-4-yl)-N',N'-diethyldodecane-1,12-diamine (CID 10600129) is N-(7-bromoquinolin-4-yl)-N',N'-diethyldodecane-1,12-diamine.
What is the SMILES notation for N-(7-bromoquinolin-4-yl)-N',N'-diethyldodecane-1,12-diamine?
The canonical SMILES for N-(7-bromoquinolin-4-yl)-N',N'-diethyldodecane-1,12-diamine is CCN(CC)CCCCCCCCCCCCNc1ccnc2cc(Br)ccc12.
What is the InChIKey of N-(7-bromoquinolin-4-yl)-N',N'-diethyldodecane-1,12-diamine?
The InChIKey is DJBUQUWFCUWJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40BrN3/c1-3-29(4-2)20-14-12-10-8-6-5-7-9-11-13-18-27-24-17-19-28-25-21-22(26)15-16-23(24)25/h15-17,19,21H,3-14,18,20H2,1-2H3,(H,27,28).
What are the key properties of N-(7-bromoquinolin-4-yl)-N',N'-diethyldodecane-1,12-diamine?
N-(7-bromoquinolin-4-yl)-N',N'-diethyldodecane-1,12-diamine has a molecular weight of 462.52 g/mol, XLogP of 7.65, 16 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'-diethyldodecane-1,12-diamine is sourced from PubChem (CID 10600129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).