4-N-[3-(4-bromophenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine

C24H30BrN3 — CID 44537288

IUPAC4-N-[3-(4-bromophenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1c(-c2ccc(Br)cc2)cnc2ccccc12
InChIInChI=1S/C24H30BrN3/c1-4-28(5-2)16-8-9-18(3)27-24-21-10-6-7-11-23(21)26-17-22(24)19-12-14-20(25)15-13-19/h6-7,10-15,17-18H,4-5,8-9,16H2,1-3H3,(H,26,27)
InChIKeyUJFNYFYGEZKWLN-UHFFFAOYSA-N
MW440.43 g/mol
LogP6.59
Rot. Bonds9

About 4-N-[3-(4-bromophenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine

4-N-[3-(4-bromophenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 44537288) has the molecular formula C24H30BrN3 and a molecular weight of 440.43 g/mol. Its IUPAC name is 4-N-[3-(4-bromophenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-(4-bromophenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID44537288
Molecular FormulaC24H30BrN3
Molecular Weight440.43 g/mol
Exact Mass439.16
IUPAC Name4-N-[3-(4-bromophenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1c(-c2ccc(Br)cc2)cnc2ccccc12
InChIInChI=1S/C24H30BrN3/c1-4-28(5-2)16-8-9-18(3)27-24-21-10-6-7-11-23(21)26-17-22(24)19-12-14-20(25)15-13-19/h6-7,10-15,17-18H,4-5,8-9,16H2,1-3H3,(H,26,27)
InChIKeyUJFNYFYGEZKWLN-UHFFFAOYSA-N
XLogP6.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.43
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(4-bromophenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-[3-(4-bromophenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine (CID 44537288) is 4-N-[3-(4-bromophenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-[3-(4-bromophenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-[3-(4-bromophenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)Nc1c(-c2ccc(Br)cc2)cnc2ccccc12.
What is the InChIKey of 4-N-[3-(4-bromophenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is UJFNYFYGEZKWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30BrN3/c1-4-28(5-2)16-8-9-18(3)27-24-21-10-6-7-11-23(21)26-17-22(24)19-12-14-20(25)15-13-19/h6-7,10-15,17-18H,4-5,8-9,16H2,1-3H3,(H,26,27).
What are the key properties of 4-N-[3-(4-bromophenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine?
4-N-[3-(4-bromophenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 440.43 g/mol, XLogP of 6.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(4-bromophenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 44537288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).