1-(4-methoxyphenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine

C23H22N2O2S — CID 52941357

IUPAC1-(4-methoxyphenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2cc3ccc(OC)cc3nc2-c2ccsc2)cc1
InChIInChI=1S/C23H22N2O2S/c1-26-20-6-3-16(4-7-20)13-24-14-19-11-17-5-8-21(27-2)12-22(17)25-23(19)18-9-10-28-15-18/h3-12,15,24H,13-14H2,1-2H3
InChIKeyKIHUWHWAPOQHKO-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.27
Rot. Bonds7

About 1-(4-methoxyphenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine

1-(4-methoxyphenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine (PubChem CID 52941357) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine
PubChem CID52941357
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name1-(4-methoxyphenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2cc3ccc(OC)cc3nc2-c2ccsc2)cc1
InChIInChI=1S/C23H22N2O2S/c1-26-20-6-3-16(4-7-20)13-24-14-19-11-17-5-8-21(27-2)12-22(17)25-23(19)18-9-10-28-15-18/h3-12,15,24H,13-14H2,1-2H3
InChIKeyKIHUWHWAPOQHKO-UHFFFAOYSA-N
XLogP5.27
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine (CID 52941357) is 1-(4-methoxyphenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine is COc1ccc(CNCc2cc3ccc(OC)cc3nc2-c2ccsc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine?
The InChIKey is KIHUWHWAPOQHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-26-20-6-3-16(4-7-20)13-24-14-19-11-17-5-8-21(27-2)12-22(17)25-23(19)18-9-10-28-15-18/h3-12,15,24H,13-14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine?
1-(4-methoxyphenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine has a molecular weight of 390.51 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine is sourced from PubChem (CID 52941357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).