N-[(4,5-dibromothiophen-2-yl)methyl]-2-methylquinolin-8-amine

C15H12Br2N2S — CID 102835610

IUPACN-[(4,5-dibromothiophen-2-yl)methyl]-2-methylquinolin-8-amine
SMILESCc1ccc2cccc(NCc3cc(Br)c(Br)s3)c2n1
InChIInChI=1S/C15H12Br2N2S/c1-9-5-6-10-3-2-4-13(14(10)19-9)18-8-11-7-12(16)15(17)20-11/h2-7,18H,8H2,1H3
InChIKeyOGRGIHIFMYEILH-UHFFFAOYSA-N
MW412.15 g/mol
LogP5.74
Rot. Bonds3

About N-[(4,5-dibromothiophen-2-yl)methyl]-2-methylquinolin-8-amine

N-[(4,5-dibromothiophen-2-yl)methyl]-2-methylquinolin-8-amine (PubChem CID 102835610) has the molecular formula C15H12Br2N2S and a molecular weight of 412.15 g/mol. Its IUPAC name is N-[(4,5-dibromothiophen-2-yl)methyl]-2-methylquinolin-8-amine.

Molecular Properties

Compound NameN-[(4,5-dibromothiophen-2-yl)methyl]-2-methylquinolin-8-amine
PubChem CID102835610
Molecular FormulaC15H12Br2N2S
Molecular Weight412.15 g/mol
Exact Mass409.91
IUPAC NameN-[(4,5-dibromothiophen-2-yl)methyl]-2-methylquinolin-8-amine
SMILESCc1ccc2cccc(NCc3cc(Br)c(Br)s3)c2n1
InChIInChI=1S/C15H12Br2N2S/c1-9-5-6-10-3-2-4-13(14(10)19-9)18-8-11-7-12(16)15(17)20-11/h2-7,18H,8H2,1H3
InChIKeyOGRGIHIFMYEILH-UHFFFAOYSA-N
XLogP5.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.15
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-3-methylphenyl)methyl]-2-methylquinolin-8-amine
CID 66473623
N-[(4,5-dibromothiophen-2-yl)methyl]-3-iodo-2-methylaniline
CID 114256939
N-[(4,5-dibromothiophen-2-yl)methyl]-2-ethylaniline
CID 102830609
N-[(2,6-difluorophenyl)methyl]-2-methylquinolin-8-amine
CID 62954438
2-methyl-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 62954281
2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine
CID 55154213
N-[(4-bromo-5-methylthiophen-2-yl)methyl]isoquinolin-5-amine
CID 102832061
N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline
CID 102903881
(2-methylquinolin-8-yl)hydrazine
CID 957615
N-[(4,5-dibromothiophen-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 102832323
3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine
CID 116783537
N-[(1-ethylimidazol-2-yl)methyl]-2-methylquinolin-8-amine
CID 62954974

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-2-methylquinolin-8-amine?
The IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-2-methylquinolin-8-amine (CID 102835610) is N-[(4,5-dibromothiophen-2-yl)methyl]-2-methylquinolin-8-amine.
What is the SMILES notation for N-[(4,5-dibromothiophen-2-yl)methyl]-2-methylquinolin-8-amine?
The canonical SMILES for N-[(4,5-dibromothiophen-2-yl)methyl]-2-methylquinolin-8-amine is Cc1ccc2cccc(NCc3cc(Br)c(Br)s3)c2n1.
What is the InChIKey of N-[(4,5-dibromothiophen-2-yl)methyl]-2-methylquinolin-8-amine?
The InChIKey is OGRGIHIFMYEILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2S/c1-9-5-6-10-3-2-4-13(14(10)19-9)18-8-11-7-12(16)15(17)20-11/h2-7,18H,8H2,1H3.
What are the key properties of N-[(4,5-dibromothiophen-2-yl)methyl]-2-methylquinolin-8-amine?
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methylquinolin-8-amine has a molecular weight of 412.15 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromothiophen-2-yl)methyl]-2-methylquinolin-8-amine is sourced from PubChem (CID 102835610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).