[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol

C17H18N2OS — CID 106768318

IUPAC[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol
SMILESCN(CCc1cccs1)c1ncc(CO)c2ccccc12
InChIInChI=1S/C17H18N2OS/c1-19(9-8-14-5-4-10-21-14)17-16-7-3-2-6-15(16)13(12-20)11-18-17/h2-7,10-11,20H,8-9,12H2,1H3
InChIKeyVPLNMTULKQRCJI-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.47
Rot. Bonds5

About [1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol

[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol (PubChem CID 106768318) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is [1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol.

Molecular Properties

Compound Name[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol
PubChem CID106768318
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol
SMILESCN(CCc1cccs1)c1ncc(CO)c2ccccc12
InChIInChI=1S/C17H18N2OS/c1-19(9-8-14-5-4-10-21-14)17-16-7-3-2-6-15(16)13(12-20)11-18-17/h2-7,10-11,20H,8-9,12H2,1H3
InChIKeyVPLNMTULKQRCJI-UHFFFAOYSA-N
XLogP3.47
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol
CID 79489158
[1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol
CID 106768377
4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine
CID 79487719
[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol
CID 79494341
[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]isoquinolin-4-yl]methanol
CID 106768222
5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid
CID 113321661
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470640
[3-[methyl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol
CID 105066711
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
6-hydrazinyl-N-methyl-5-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80929501
[5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol
CID 62000735
5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide
CID 113320985

Frequently Asked Questions

What is the IUPAC name of [1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol?
The IUPAC name of [1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol (CID 106768318) is [1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol.
What is the SMILES notation for [1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol?
The canonical SMILES for [1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol is CN(CCc1cccs1)c1ncc(CO)c2ccccc12.
What is the InChIKey of [1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol?
The InChIKey is VPLNMTULKQRCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-19(9-8-14-5-4-10-21-14)17-16-7-3-2-6-15(16)13(12-20)11-18-17/h2-7,10-11,20H,8-9,12H2,1H3.
What are the key properties of [1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol?
[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol has a molecular weight of 298.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol is sourced from PubChem (CID 106768318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).