1-benzothiophen-2-yl(quinolin-6-yl)methanamine

C18H14N2S — CID 105021010

IUPAC1-benzothiophen-2-yl(quinolin-6-yl)methanamine
SMILESNC(c1ccc2ncccc2c1)c1cc2ccccc2s1
InChIInChI=1S/C18H14N2S/c19-18(17-11-13-4-1-2-6-16(13)21-17)14-7-8-15-12(10-14)5-3-9-20-15/h1-11,18H,19H2
InChIKeyDRZZZTMISHVSCF-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.50
Rot. Bonds2

About 1-benzothiophen-2-yl(quinolin-6-yl)methanamine

1-benzothiophen-2-yl(quinolin-6-yl)methanamine (PubChem CID 105021010) has the molecular formula C18H14N2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-benzothiophen-2-yl(quinolin-6-yl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-2-yl(quinolin-6-yl)methanamine
PubChem CID105021010
Molecular FormulaC18H14N2S
Molecular Weight290.39 g/mol
Exact Mass290.09
IUPAC Name1-benzothiophen-2-yl(quinolin-6-yl)methanamine
SMILESNC(c1ccc2ncccc2c1)c1cc2ccccc2s1
InChIInChI=1S/C18H14N2S/c19-18(17-11-13-4-1-2-6-16(13)21-17)14-7-8-15-12(10-14)5-3-9-20-15/h1-11,18H,19H2
InChIKeyDRZZZTMISHVSCF-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

(4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanamine
CID 105021067
(5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine
CID 105021086
quinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783220
1-benzothiophen-2-yl-(4-methylphenyl)methanamine
CID 61406920
(4-tert-butylphenyl)-quinolin-6-ylmethanamine
CID 82106268
quinolin-6-yl(1,3-thiazol-2-yl)methanamine
CID 63970380
(6-methyl-3-pyridinyl)-quinolin-6-ylmethanamine
CID 63155973
(4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine
CID 105021117
2,2-difluoro-1-quinolin-6-ylethanamine
CID 80604993
[(2-methyl-1,3-thiazol-5-yl)-quinolin-6-ylmethyl]hydrazine
CID 114031832
(3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine
CID 103215982
2-amino-2-quinolin-6-ylacetonitrile
CID 63968103

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl(quinolin-6-yl)methanamine?
The IUPAC name of 1-benzothiophen-2-yl(quinolin-6-yl)methanamine (CID 105021010) is 1-benzothiophen-2-yl(quinolin-6-yl)methanamine.
What is the SMILES notation for 1-benzothiophen-2-yl(quinolin-6-yl)methanamine?
The canonical SMILES for 1-benzothiophen-2-yl(quinolin-6-yl)methanamine is NC(c1ccc2ncccc2c1)c1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-yl(quinolin-6-yl)methanamine?
The InChIKey is DRZZZTMISHVSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2S/c19-18(17-11-13-4-1-2-6-16(13)21-17)14-7-8-15-12(10-14)5-3-9-20-15/h1-11,18H,19H2.
What are the key properties of 1-benzothiophen-2-yl(quinolin-6-yl)methanamine?
1-benzothiophen-2-yl(quinolin-6-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-2-yl(quinolin-6-yl)methanamine is sourced from PubChem (CID 105021010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).