N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine

C18H20N2OS — CID 162675534

IUPACN-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCOc1nc2cc(C)cc(C)c2cc1CNCc1cccs1
InChIInChI=1S/C18H20N2OS/c1-12-7-13(2)16-9-14(18(21-3)20-17(16)8-12)10-19-11-15-5-4-6-22-15/h4-9,19H,10-11H2,1-3H3
InChIKeyXOXIMDXUVMIRFC-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.21
Rot. Bonds5

About N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine

N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 162675534) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID162675534
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC NameN-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCOc1nc2cc(C)cc(C)c2cc1CNCc1cccs1
InChIInChI=1S/C18H20N2OS/c1-12-7-13(2)16-9-14(18(21-3)20-17(16)8-12)10-19-11-15-5-4-6-22-15/h4-9,19H,10-11H2,1-3H3
InChIKeyXOXIMDXUVMIRFC-UHFFFAOYSA-N
XLogP4.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine (CID 162675534) is N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine is COc1nc2cc(C)cc(C)c2cc1CNCc1cccs1.
What is the InChIKey of N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is XOXIMDXUVMIRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-12-7-13(2)16-9-14(18(21-3)20-17(16)8-12)10-19-11-15-5-4-6-22-15/h4-9,19H,10-11H2,1-3H3.
What are the key properties of N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine?
N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 312.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 162675534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).