1-benzothiophen-3-yl(quinolin-5-yl)methanamine

C18H14N2S — CID 115604927

IUPAC1-benzothiophen-3-yl(quinolin-5-yl)methanamine
SMILESNC(c1cccc2ncccc12)c1csc2ccccc12
InChIInChI=1S/C18H14N2S/c19-18(15-11-21-17-9-2-1-5-13(15)17)14-6-3-8-16-12(14)7-4-10-20-16/h1-11,18H,19H2
InChIKeyJHBIZAJGLJYTNO-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.50
Rot. Bonds2

About 1-benzothiophen-3-yl(quinolin-5-yl)methanamine

1-benzothiophen-3-yl(quinolin-5-yl)methanamine (PubChem CID 115604927) has the molecular formula C18H14N2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-benzothiophen-3-yl(quinolin-5-yl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-3-yl(quinolin-5-yl)methanamine
PubChem CID115604927
Molecular FormulaC18H14N2S
Molecular Weight290.39 g/mol
Exact Mass290.09
IUPAC Name1-benzothiophen-3-yl(quinolin-5-yl)methanamine
SMILESNC(c1cccc2ncccc12)c1csc2ccccc12
InChIInChI=1S/C18H14N2S/c19-18(15-11-21-17-9-2-1-5-13(15)17)14-6-3-8-16-12(14)7-4-10-20-16/h1-11,18H,19H2
InChIKeyJHBIZAJGLJYTNO-UHFFFAOYSA-N
XLogP4.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-3-yl(quinolin-5-yl)methanol
CID 78917707
(2-chlorophenyl)-quinolin-5-ylmethanamine
CID 81231454
1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine
CID 55101865
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
quinolin-5-yl(thiadiazol-4-yl)methanamine
CID 105171903
(2-methylfuran-3-yl)-quinolin-5-ylmethanamine
CID 104789805
(1R)-1-quinolin-5-ylethanamine
CID 55277010
(2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine
CID 107985270
1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine
CID 105021781
1-benzothiophen-3-yl(quinolin-3-yl)methanamine
CID 115797844
(2-fluoro-5-methylphenyl)-quinolin-5-ylmethanamine
CID 105020084

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl(quinolin-5-yl)methanamine?
The IUPAC name of 1-benzothiophen-3-yl(quinolin-5-yl)methanamine (CID 115604927) is 1-benzothiophen-3-yl(quinolin-5-yl)methanamine.
What is the SMILES notation for 1-benzothiophen-3-yl(quinolin-5-yl)methanamine?
The canonical SMILES for 1-benzothiophen-3-yl(quinolin-5-yl)methanamine is NC(c1cccc2ncccc12)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl(quinolin-5-yl)methanamine?
The InChIKey is JHBIZAJGLJYTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2S/c19-18(15-11-21-17-9-2-1-5-13(15)17)14-6-3-8-16-12(14)7-4-10-20-16/h1-11,18H,19H2.
What are the key properties of 1-benzothiophen-3-yl(quinolin-5-yl)methanamine?
1-benzothiophen-3-yl(quinolin-5-yl)methanamine has a molecular weight of 290.39 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl(quinolin-5-yl)methanamine is sourced from PubChem (CID 115604927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).