N-[6-methoxy-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine

C20H23N3OS — CID 162676699

IUPACN-[6-methoxy-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc2nc(/C=C/c3cccs3)cc(NCCN(C)C)c2c1
InChIInChI=1S/C20H23N3OS/c1-23(2)11-10-21-20-13-15(6-8-17-5-4-12-25-17)22-19-9-7-16(24-3)14-18(19)20/h4-9,12-14H,10-11H2,1-3H3,(H,21,22)/b8-6+
InChIKeyUOGSWWIZLFVKPW-SOFGYWHQSA-N
MW353.49 g/mol
LogP4.45
Rot. Bonds7

About N-[6-methoxy-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[6-methoxy-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 162676699) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[6-methoxy-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-methoxy-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID162676699
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-[6-methoxy-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc2nc(/C=C/c3cccs3)cc(NCCN(C)C)c2c1
InChIInChI=1S/C20H23N3OS/c1-23(2)11-10-21-20-13-15(6-8-17-5-4-12-25-17)22-19-9-7-16(24-3)14-18(19)20/h4-9,12-14H,10-11H2,1-3H3,(H,21,22)/b8-6+
InChIKeyUOGSWWIZLFVKPW-SOFGYWHQSA-N
XLogP4.45
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-methoxy-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 162676699) is N-[6-methoxy-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-methoxy-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-methoxy-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is COc1ccc2nc(/C=C/c3cccs3)cc(NCCN(C)C)c2c1.
What is the InChIKey of N-[6-methoxy-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is UOGSWWIZLFVKPW-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-23(2)11-10-21-20-13-15(6-8-17-5-4-12-25-17)22-19-9-7-16(24-3)14-18(19)20/h4-9,12-14H,10-11H2,1-3H3,(H,21,22)/b8-6+.
What are the key properties of N-[6-methoxy-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6-methoxy-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 353.49 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 162676699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).