2,4-dibromo-N-(quinolin-4-ylmethyl)aniline

C16H12Br2N2 — CID 63868656

IUPAC2,4-dibromo-N-(quinolin-4-ylmethyl)aniline
SMILESBrc1ccc(NCc2ccnc3ccccc23)c(Br)c1
InChIInChI=1S/C16H12Br2N2/c17-12-5-6-16(14(18)9-12)20-10-11-7-8-19-15-4-2-1-3-13(11)15/h1-9,20H,10H2
InChIKeyJHBBFYVHXCACAA-UHFFFAOYSA-N
MW392.09 g/mol
LogP5.37
Rot. Bonds3

About 2,4-dibromo-N-(quinolin-4-ylmethyl)aniline

2,4-dibromo-N-(quinolin-4-ylmethyl)aniline (PubChem CID 63868656) has the molecular formula C16H12Br2N2 and a molecular weight of 392.09 g/mol. Its IUPAC name is 2,4-dibromo-N-(quinolin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2,4-dibromo-N-(quinolin-4-ylmethyl)aniline
PubChem CID63868656
Molecular FormulaC16H12Br2N2
Molecular Weight392.09 g/mol
Exact Mass389.94
IUPAC Name2,4-dibromo-N-(quinolin-4-ylmethyl)aniline
SMILESBrc1ccc(NCc2ccnc3ccccc23)c(Br)c1
InChIInChI=1S/C16H12Br2N2/c17-12-5-6-16(14(18)9-12)20-10-11-7-8-19-15-4-2-1-3-13(11)15/h1-9,20H,10H2
InChIKeyJHBBFYVHXCACAA-UHFFFAOYSA-N
XLogP5.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.09
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-(quinolin-4-ylmethyl)aniline
CID 63866864
3-bromo-N-(quinolin-4-ylmethyl)aniline
CID 55252220
2,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868097
N-(quinolin-4-ylmethyl)aniline
CID 57199115
N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 67723222
2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline
CID 63867018
2-bromo-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline
CID 63867024
2,4-dibromo-N-[(2-chlorophenyl)methyl]aniline
CID 43229923
2-bromo-6-fluoro-N-(quinolin-4-ylmethyl)aniline
CID 107598558
3,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868241
2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79233279
3-chloro-2-fluoro-N-(quinolin-4-ylmethyl)aniline
CID 63867022

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(quinolin-4-ylmethyl)aniline?
The IUPAC name of 2,4-dibromo-N-(quinolin-4-ylmethyl)aniline (CID 63868656) is 2,4-dibromo-N-(quinolin-4-ylmethyl)aniline.
What is the SMILES notation for 2,4-dibromo-N-(quinolin-4-ylmethyl)aniline?
The canonical SMILES for 2,4-dibromo-N-(quinolin-4-ylmethyl)aniline is Brc1ccc(NCc2ccnc3ccccc23)c(Br)c1.
What is the InChIKey of 2,4-dibromo-N-(quinolin-4-ylmethyl)aniline?
The InChIKey is JHBBFYVHXCACAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N2/c17-12-5-6-16(14(18)9-12)20-10-11-7-8-19-15-4-2-1-3-13(11)15/h1-9,20H,10H2.
What are the key properties of 2,4-dibromo-N-(quinolin-4-ylmethyl)aniline?
2,4-dibromo-N-(quinolin-4-ylmethyl)aniline has a molecular weight of 392.09 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(quinolin-4-ylmethyl)aniline is sourced from PubChem (CID 63868656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).