4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline

C16H11BrCl2N2 — CID 28992978

IUPAC4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCc1cccc2cccnc12
InChIInChI=1S/C16H11BrCl2N2/c17-12-7-13(18)16(14(19)8-12)21-9-11-4-1-3-10-5-2-6-20-15(10)11/h1-8,21H,9H2
InChIKeyOTOZLFJEKGCEQR-UHFFFAOYSA-N
MW382.09 g/mol
LogP5.92
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline

4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline (PubChem CID 28992978) has the molecular formula C16H11BrCl2N2 and a molecular weight of 382.09 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline
PubChem CID28992978
Molecular FormulaC16H11BrCl2N2
Molecular Weight382.09 g/mol
Exact Mass379.95
IUPAC Name4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCc1cccc2cccnc12
InChIInChI=1S/C16H11BrCl2N2/c17-12-7-13(18)16(14(19)8-12)21-9-11-4-1-3-10-5-2-6-20-15(10)11/h1-8,21H,9H2
InChIKeyOTOZLFJEKGCEQR-UHFFFAOYSA-N
XLogP5.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.09
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-dichloro-N-(naphthalen-1-ylmethyl)aniline
CID 28993216
5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine
CID 78953418
3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine
CID 102759247
2-bromo-N-(quinolin-8-ylmethyl)aniline
CID 28616025
4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline
CID 102909422
3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 104834766
2-[(4-bromo-2,6-dichloroanilino)methyl]-6-chlorophenol
CID 112606366
N-(quinolin-8-ylmethyl)aniline
CID 28610045
4-bromo-2-(quinolin-8-ylmethylamino)benzonitrile
CID 114902063
2-chloro-4-(quinolin-8-ylmethylamino)benzonitrile
CID 43347935
3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine
CID 104777182
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline (CID 28992978) is 4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline is Clc1cc(Br)cc(Cl)c1NCc1cccc2cccnc12.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline?
The InChIKey is OTOZLFJEKGCEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrCl2N2/c17-12-7-13(18)16(14(19)8-12)21-9-11-4-1-3-10-5-2-6-20-15(10)11/h1-8,21H,9H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline?
4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline has a molecular weight of 382.09 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline is sourced from PubChem (CID 28992978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).