N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]quinolin-4-amine

C19H19BrN2O2 — CID 56840758

IUPACN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]quinolin-4-amine
SMILESCOc1cc(Br)c(CCNc2ccnc3ccccc23)cc1OC
InChIInChI=1S/C19H19BrN2O2/c1-23-18-11-13(15(20)12-19(18)24-2)7-9-21-17-8-10-22-16-6-4-3-5-14(16)17/h3-6,8,10-12H,7,9H2,1-2H3,(H,21,22)
InChIKeyHVDSIFNPCADXKA-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.67
Rot. Bonds6

About N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]quinolin-4-amine

N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]quinolin-4-amine (PubChem CID 56840758) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]quinolin-4-amine
PubChem CID56840758
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC NameN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]quinolin-4-amine
SMILESCOc1cc(Br)c(CCNc2ccnc3ccccc23)cc1OC
InChIInChI=1S/C19H19BrN2O2/c1-23-18-11-13(15(20)12-19(18)24-2)7-9-21-17-8-10-22-16-6-4-3-5-14(16)17/h3-6,8,10-12H,7,9H2,1-2H3,(H,21,22)
InChIKeyHVDSIFNPCADXKA-UHFFFAOYSA-N
XLogP4.67
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]quinolin-4-amine?
The IUPAC name of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]quinolin-4-amine (CID 56840758) is N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]quinolin-4-amine.
What is the SMILES notation for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]quinolin-4-amine?
The canonical SMILES for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]quinolin-4-amine is COc1cc(Br)c(CCNc2ccnc3ccccc23)cc1OC.
What is the InChIKey of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]quinolin-4-amine?
The InChIKey is HVDSIFNPCADXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-23-18-11-13(15(20)12-19(18)24-2)7-9-21-17-8-10-22-16-6-4-3-5-14(16)17/h3-6,8,10-12H,7,9H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]quinolin-4-amine?
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]quinolin-4-amine has a molecular weight of 387.28 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]quinolin-4-amine is sourced from PubChem (CID 56840758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).