N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-phenylmethanamine

C22H20N2OS — CID 52945302

IUPACN-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-phenylmethanamine
SMILESCOc1ccc2cc(CNCc3ccccc3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C22H20N2OS/c1-25-20-8-7-17-11-19(14-23-13-16-5-3-2-4-6-16)22(24-21(17)12-20)18-9-10-26-15-18/h2-12,15,23H,13-14H2,1H3
InChIKeyXMKMXRAPYUXWLB-UHFFFAOYSA-N
MW360.48 g/mol
LogP5.26
Rot. Bonds6

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

N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-phenylmethanamine (PubChem CID 52945302) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-phenylmethanamine
PubChem CID52945302
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC NameN-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-phenylmethanamine
SMILESCOc1ccc2cc(CNCc3ccccc3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C22H20N2OS/c1-25-20-8-7-17-11-19(14-23-13-16-5-3-2-4-6-16)22(24-21(17)12-20)18-9-10-26-15-18/h2-12,15,23H,13-14H2,1H3
InChIKeyXMKMXRAPYUXWLB-UHFFFAOYSA-N
XLogP5.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-phenylmethanamine (CID 52945302) is N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-phenylmethanamine is COc1ccc2cc(CNCc3ccccc3)c(-c3ccsc3)nc2c1.
What is the InChIKey of N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-phenylmethanamine?
The InChIKey is XMKMXRAPYUXWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS/c1-25-20-8-7-17-11-19(14-23-13-16-5-3-2-4-6-16)22(24-21(17)12-20)18-9-10-26-15-18/h2-12,15,23H,13-14H2,1H3.
What are the key properties of N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-phenylmethanamine?
N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-phenylmethanamine has a molecular weight of 360.48 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 52945302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).