isoquinolin-8-yl-(3-methoxythiophen-2-yl)methanamine

C15H14N2OS — CID 103136207

IUPACisoquinolin-8-yl-(3-methoxythiophen-2-yl)methanamine
SMILESCOc1ccsc1C(N)c1cccc2ccncc12
InChIInChI=1S/C15H14N2OS/c1-18-13-6-8-19-15(13)14(16)11-4-2-3-10-5-7-17-9-12(10)11/h2-9,14H,16H2,1H3
InChIKeyDCVZBTCYABCYHF-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.35
Rot. Bonds3

About isoquinolin-8-yl-(3-methoxythiophen-2-yl)methanamine

isoquinolin-8-yl-(3-methoxythiophen-2-yl)methanamine (PubChem CID 103136207) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is isoquinolin-8-yl-(3-methoxythiophen-2-yl)methanamine.

Molecular Properties

Compound Nameisoquinolin-8-yl-(3-methoxythiophen-2-yl)methanamine
PubChem CID103136207
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Nameisoquinolin-8-yl-(3-methoxythiophen-2-yl)methanamine
SMILESCOc1ccsc1C(N)c1cccc2ccncc12
InChIInChI=1S/C15H14N2OS/c1-18-13-6-8-19-15(13)14(16)11-4-2-3-10-5-7-17-9-12(10)11/h2-9,14H,16H2,1H3
InChIKeyDCVZBTCYABCYHF-UHFFFAOYSA-N
XLogP3.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine
CID 103136203
isoquinolin-8-yl-(4-methyl-3-pyridinyl)methanamine
CID 103143849
isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol
CID 103139118
isoquinolin-8-yl-(4-methylphenyl)methanamine
CID 103136734
isoquinolin-8-yl(pyridin-3-yl)methanamine
CID 103137345
isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine
CID 103137421
1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine
CID 81127792
isoquinolin-8-yl-(1-methoxycyclobutyl)methanamine
CID 103143784
N-[(3-bromothiophen-2-yl)-isoquinolin-8-ylmethyl]ethanamine
CID 103138016
(4-ethylsulfanylphenyl)-isoquinolin-8-ylmethanamine
CID 106848509
(3-methoxythiophen-2-yl)-quinolin-6-ylmethanamine
CID 105020989
(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine
CID 105026408

Frequently Asked Questions

What is the IUPAC name of isoquinolin-8-yl-(3-methoxythiophen-2-yl)methanamine?
The IUPAC name of isoquinolin-8-yl-(3-methoxythiophen-2-yl)methanamine (CID 103136207) is isoquinolin-8-yl-(3-methoxythiophen-2-yl)methanamine.
What is the SMILES notation for isoquinolin-8-yl-(3-methoxythiophen-2-yl)methanamine?
The canonical SMILES for isoquinolin-8-yl-(3-methoxythiophen-2-yl)methanamine is COc1ccsc1C(N)c1cccc2ccncc12.
What is the InChIKey of isoquinolin-8-yl-(3-methoxythiophen-2-yl)methanamine?
The InChIKey is DCVZBTCYABCYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-18-13-6-8-19-15(13)14(16)11-4-2-3-10-5-7-17-9-12(10)11/h2-9,14H,16H2,1H3.
What are the key properties of isoquinolin-8-yl-(3-methoxythiophen-2-yl)methanamine?
isoquinolin-8-yl-(3-methoxythiophen-2-yl)methanamine has a molecular weight of 270.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-8-yl-(3-methoxythiophen-2-yl)methanamine is sourced from PubChem (CID 103136207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).