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

C18H14N2S — CID 115797844

IUPAC1-benzothiophen-3-yl(quinolin-3-yl)methanamine
SMILESNC(c1cnc2ccccc2c1)c1csc2ccccc12
InChIInChI=1S/C18H14N2S/c19-18(15-11-21-17-8-4-2-6-14(15)17)13-9-12-5-1-3-7-16(12)20-10-13/h1-11,18H,19H2
InChIKeyLBRNRECSPMBTAM-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.50
Rot. Bonds2

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

1-benzothiophen-3-yl(quinolin-3-yl)methanamine (PubChem CID 115797844) has the molecular formula C18H14N2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-benzothiophen-3-yl(quinolin-3-yl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-3-yl(quinolin-3-yl)methanamine
PubChem CID115797844
Molecular FormulaC18H14N2S
Molecular Weight290.39 g/mol
Exact Mass290.09
IUPAC Name1-benzothiophen-3-yl(quinolin-3-yl)methanamine
SMILESNC(c1cnc2ccccc2c1)c1csc2ccccc12
InChIInChI=1S/C18H14N2S/c19-18(15-11-21-17-8-4-2-6-14(15)17)13-9-12-5-1-3-7-16(12)20-10-13/h1-11,18H,19H2
InChIKeyLBRNRECSPMBTAM-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-methyl-3-pyridinyl)-quinolin-3-ylmethanamine
CID 114877871
1-benzothiophen-3-yl(quinolin-5-yl)methanamine
CID 115604927
(2,5-dibromophenyl)-quinolin-3-ylmethanamine
CID 115798842
4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline
CID 116936917
(4-methoxythiophen-2-yl)-quinolin-3-ylmethanamine
CID 115798693
(3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine
CID 64712789
[4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine
CID 116937094
(5-methylthiophen-2-yl)-quinolin-3-ylmethanamine
CID 115798712
1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 43150849
(R)-pyrazin-2-yl(quinolin-3-yl)methanamine
CID 93358826
quinolin-3-yl-(2,4,6-trifluorophenyl)methanamine
CID 115798580
(4,5-dimethylthiophen-2-yl)-quinolin-3-ylmethanamine
CID 115798523

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl(quinolin-3-yl)methanamine?
The IUPAC name of 1-benzothiophen-3-yl(quinolin-3-yl)methanamine (CID 115797844) is 1-benzothiophen-3-yl(quinolin-3-yl)methanamine.
What is the SMILES notation for 1-benzothiophen-3-yl(quinolin-3-yl)methanamine?
The canonical SMILES for 1-benzothiophen-3-yl(quinolin-3-yl)methanamine is NC(c1cnc2ccccc2c1)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl(quinolin-3-yl)methanamine?
The InChIKey is LBRNRECSPMBTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2S/c19-18(15-11-21-17-8-4-2-6-14(15)17)13-9-12-5-1-3-7-16(12)20-10-13/h1-11,18H,19H2.
What are the key properties of 1-benzothiophen-3-yl(quinolin-3-yl)methanamine?
1-benzothiophen-3-yl(quinolin-3-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-3-yl)methanamine is sourced from PubChem (CID 115797844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).