(3-methylthiophen-2-yl)-quinolin-8-ylmethanamine

C15H14N2S — CID 113230034

IUPAC(3-methylthiophen-2-yl)-quinolin-8-ylmethanamine
SMILESCc1ccsc1C(N)c1cccc2cccnc12
InChIInChI=1S/C15H14N2S/c1-10-7-9-18-15(10)13(16)12-6-2-4-11-5-3-8-17-14(11)12/h2-9,13H,16H2,1H3
InChIKeyBHAIIBRDOXPAEZ-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.65
Rot. Bonds2

About (3-methylthiophen-2-yl)-quinolin-8-ylmethanamine

(3-methylthiophen-2-yl)-quinolin-8-ylmethanamine (PubChem CID 113230034) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-quinolin-8-ylmethanamine.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-quinolin-8-ylmethanamine
PubChem CID113230034
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name(3-methylthiophen-2-yl)-quinolin-8-ylmethanamine
SMILESCc1ccsc1C(N)c1cccc2cccnc12
InChIInChI=1S/C15H14N2S/c1-10-7-9-18-15(10)13(16)12-6-2-4-11-5-3-8-17-14(11)12/h2-9,13H,16H2,1H3
InChIKeyBHAIIBRDOXPAEZ-UHFFFAOYSA-N
XLogP3.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

quinolin-8-yl-(2,4,6-trimethylphenyl)methanamine
CID 115604891
(3-methylthiophen-2-yl)-pyridin-2-ylmethanamine
CID 79989254
N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine
CID 63991411
quinolin-8-yl(thiophen-3-yl)methanamine
CID 81220765
(3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine
CID 107102903
(3-ethylthiophen-2-yl)-quinolin-8-ylmethanol
CID 115826964
(2-methylsulfanylphenyl)-quinolin-8-ylmethanamine
CID 105021362
(2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 115530132
(3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine
CID 79988148
(3-methoxy-4-methylphenyl)-quinolin-8-ylmethanamine
CID 105021239
(2,3-difluorophenyl)-quinolin-8-ylmethanamine
CID 105021274
(3-methylthiophen-2-yl)-pyridin-3-ylmethanamine
CID 78973972

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-quinolin-8-ylmethanamine?
The IUPAC name of (3-methylthiophen-2-yl)-quinolin-8-ylmethanamine (CID 113230034) is (3-methylthiophen-2-yl)-quinolin-8-ylmethanamine.
What is the SMILES notation for (3-methylthiophen-2-yl)-quinolin-8-ylmethanamine?
The canonical SMILES for (3-methylthiophen-2-yl)-quinolin-8-ylmethanamine is Cc1ccsc1C(N)c1cccc2cccnc12.
What is the InChIKey of (3-methylthiophen-2-yl)-quinolin-8-ylmethanamine?
The InChIKey is BHAIIBRDOXPAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-10-7-9-18-15(10)13(16)12-6-2-4-11-5-3-8-17-14(11)12/h2-9,13H,16H2,1H3.
What are the key properties of (3-methylthiophen-2-yl)-quinolin-8-ylmethanamine?
(3-methylthiophen-2-yl)-quinolin-8-ylmethanamine has a molecular weight of 254.36 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-quinolin-8-ylmethanamine is sourced from PubChem (CID 113230034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).