N-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine

C23H22N6OS — CID 51037081

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
SMILESCN(C)CCOc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3sccc23)cc1
InChIInChI=1S/C23H22N6OS/c1-29(2)11-12-30-16-8-6-15(7-9-16)26-23-19-10-13-31-21(19)17-4-3-5-18(20(17)27-23)22-24-14-25-28-22/h3-10,13-14H,11-12H2,1-2H3,(H,26,27)(H,24,25,28)
InChIKeyHBIPPWQOAJGLJC-UHFFFAOYSA-N
MW430.54 g/mol
LogP4.92
Rot. Bonds7

About N-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine

N-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine (PubChem CID 51037081) has the molecular formula C23H22N6OS and a molecular weight of 430.54 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
PubChem CID51037081
Molecular FormulaC23H22N6OS
Molecular Weight430.54 g/mol
Exact Mass430.16
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
SMILESCN(C)CCOc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3sccc23)cc1
InChIInChI=1S/C23H22N6OS/c1-29(2)11-12-30-16-8-6-15(7-9-16)26-23-19-10-13-31-21(19)17-4-3-5-18(20(17)27-23)22-24-14-25-28-22/h3-10,13-14H,11-12H2,1-2H3,(H,26,27)(H,24,25,28)
InChIKeyHBIPPWQOAJGLJC-UHFFFAOYSA-N
XLogP4.92
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine (CID 51037081) is N-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine is CN(C)CCOc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3sccc23)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The InChIKey is HBIPPWQOAJGLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6OS/c1-29(2)11-12-30-16-8-6-15(7-9-16)26-23-19-10-13-31-21(19)17-4-3-5-18(20(17)27-23)22-24-14-25-28-22/h3-10,13-14H,11-12H2,1-2H3,(H,26,27)(H,24,25,28).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
N-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine has a molecular weight of 430.54 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine is sourced from PubChem (CID 51037081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).