[2-[(5-chlorothiophen-2-yl)methyl-methylamino]quinolin-4-yl]methanol

C16H15ClN2OS — CID 61442554

IUPAC[2-[(5-chlorothiophen-2-yl)methyl-methylamino]quinolin-4-yl]methanol
SMILESCN(Cc1ccc(Cl)s1)c1cc(CO)c2ccccc2n1
InChIInChI=1S/C16H15ClN2OS/c1-19(9-12-6-7-15(17)21-12)16-8-11(10-20)13-4-2-3-5-14(13)18-16/h2-8,20H,9-10H2,1H3
InChIKeyXPJIADXDMSLPCN-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.08
Rot. Bonds4

About [2-[(5-chlorothiophen-2-yl)methyl-methylamino]quinolin-4-yl]methanol

[2-[(5-chlorothiophen-2-yl)methyl-methylamino]quinolin-4-yl]methanol (PubChem CID 61442554) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is [2-[(5-chlorothiophen-2-yl)methyl-methylamino]quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-[(5-chlorothiophen-2-yl)methyl-methylamino]quinolin-4-yl]methanol
PubChem CID61442554
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name[2-[(5-chlorothiophen-2-yl)methyl-methylamino]quinolin-4-yl]methanol
SMILESCN(Cc1ccc(Cl)s1)c1cc(CO)c2ccccc2n1
InChIInChI=1S/C16H15ClN2OS/c1-19(9-12-6-7-15(17)21-12)16-8-11(10-20)13-4-2-3-5-14(13)18-16/h2-8,20H,9-10H2,1H3
InChIKeyXPJIADXDMSLPCN-UHFFFAOYSA-N
XLogP4.08
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(5-chlorothiophen-2-yl)methyl-methylamino]quinolin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chlorothiophen-2-yl)methyl-methylamino]quinolin-4-yl]methanol?
The IUPAC name of [2-[(5-chlorothiophen-2-yl)methyl-methylamino]quinolin-4-yl]methanol (CID 61442554) is [2-[(5-chlorothiophen-2-yl)methyl-methylamino]quinolin-4-yl]methanol.
What is the SMILES notation for [2-[(5-chlorothiophen-2-yl)methyl-methylamino]quinolin-4-yl]methanol?
The canonical SMILES for [2-[(5-chlorothiophen-2-yl)methyl-methylamino]quinolin-4-yl]methanol is CN(Cc1ccc(Cl)s1)c1cc(CO)c2ccccc2n1.
What is the InChIKey of [2-[(5-chlorothiophen-2-yl)methyl-methylamino]quinolin-4-yl]methanol?
The InChIKey is XPJIADXDMSLPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c1-19(9-12-6-7-15(17)21-12)16-8-11(10-20)13-4-2-3-5-14(13)18-16/h2-8,20H,9-10H2,1H3.
What are the key properties of [2-[(5-chlorothiophen-2-yl)methyl-methylamino]quinolin-4-yl]methanol?
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]quinolin-4-yl]methanol has a molecular weight of 318.83 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chlorothiophen-2-yl)methyl-methylamino]quinolin-4-yl]methanol is sourced from PubChem (CID 61442554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).