(5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine

C15H13BrN2S — CID 105021086

IUPAC(5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine
SMILESCc1cc(C(N)c2ccc3ncccc3c2)sc1Br
InChIInChI=1S/C15H13BrN2S/c1-9-7-13(19-15(9)16)14(17)11-4-5-12-10(8-11)3-2-6-18-12/h2-8,14H,17H2,1H3
InChIKeyHSBKLVKFICBSAB-UHFFFAOYSA-N
MW333.25 g/mol
LogP4.42
Rot. Bonds2

About (5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine

(5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine (PubChem CID 105021086) has the molecular formula C15H13BrN2S and a molecular weight of 333.25 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine
PubChem CID105021086
Molecular FormulaC15H13BrN2S
Molecular Weight333.25 g/mol
Exact Mass332.00
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine
SMILESCc1cc(C(N)c2ccc3ncccc3c2)sc1Br
InChIInChI=1S/C15H13BrN2S/c1-9-7-13(19-15(9)16)14(17)11-4-5-12-10(8-11)3-2-6-18-12/h2-8,14H,17H2,1H3
InChIKeyHSBKLVKFICBSAB-UHFFFAOYSA-N
XLogP4.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanamine
CID 105021067
1-benzothiophen-2-yl(quinolin-6-yl)methanamine
CID 105021010
(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanamine
CID 105020248
(6-methyl-3-pyridinyl)-quinolin-6-ylmethanamine
CID 63155973
(4-tert-butylphenyl)-quinolin-6-ylmethanamine
CID 82106268
(4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine
CID 105021117
quinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783220
quinolin-6-yl(1,3-thiazol-2-yl)methanamine
CID 63970380
(4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol
CID 115826735
(5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 79981203
(5-bromo-4-methylthiophen-2-yl)-quinolin-3-ylmethanol
CID 114979842
(4,5-dimethylthiophen-2-yl)-quinolin-3-ylmethanamine
CID 115798523

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine (CID 105021086) is (5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine is Cc1cc(C(N)c2ccc3ncccc3c2)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine?
The InChIKey is HSBKLVKFICBSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2S/c1-9-7-13(19-15(9)16)14(17)11-4-5-12-10(8-11)3-2-6-18-12/h2-8,14H,17H2,1H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine?
(5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine has a molecular weight of 333.25 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine is sourced from PubChem (CID 105021086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).