N-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine

C14H11BrN2S — CID 28972879

IUPACN-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine
SMILESBrc1csc(CNc2cccc3ncccc23)c1
InChIInChI=1S/C14H11BrN2S/c15-10-7-11(18-9-10)8-17-14-5-1-4-13-12(14)3-2-6-16-13/h1-7,9,17H,8H2
InChIKeyRKCOAKCTKBELET-UHFFFAOYSA-N
MW319.23 g/mol
LogP4.67
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine

N-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine (PubChem CID 28972879) has the molecular formula C14H11BrN2S and a molecular weight of 319.23 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine
PubChem CID28972879
Molecular FormulaC14H11BrN2S
Molecular Weight319.23 g/mol
Exact Mass317.98
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine
SMILESBrc1csc(CNc2cccc3ncccc23)c1
InChIInChI=1S/C14H11BrN2S/c15-10-7-11(18-9-10)8-17-14-5-1-4-13-12(14)3-2-6-16-13/h1-7,9,17H,8H2
InChIKeyRKCOAKCTKBELET-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-thiazol-5-ylmethyl)quinolin-5-amine
CID 62758841
5-[(4-bromothiophen-2-yl)methylamino]naphthalen-1-ol
CID 43743059
N-[(4-bromothiophen-2-yl)methyl]-2-methoxypyridin-3-amine
CID 43721999
2,6-dibromo-4-[(quinolin-5-ylamino)methyl]phenol
CID 107740450
N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine
CID 54868733
N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine
CID 66472775
N-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine
CID 66161429
3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol
CID 61317236
1-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzene-1,2-diamine
CID 104834597
N'-quinolin-5-ylethane-1,2-diamine
CID 81217065
N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61326156
N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28972863

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine (CID 28972879) is N-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine is Brc1csc(CNc2cccc3ncccc23)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine?
The InChIKey is RKCOAKCTKBELET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2S/c15-10-7-11(18-9-10)8-17-14-5-1-4-13-12(14)3-2-6-16-13/h1-7,9,17H,8H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine?
N-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine has a molecular weight of 319.23 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine is sourced from PubChem (CID 28972879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).