N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-2-quinolin-5-yloxyethanamine

C26H23N3O2S — CID 59804021

IUPACN-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-2-quinolin-5-yloxyethanamine
SMILESCOc1ccc2cc(CNCCOc3cccc4ncccc34)c(-c3ccsc3)nc2c1
InChIInChI=1S/C26H23N3O2S/c1-30-21-8-7-18-14-20(26(29-24(18)15-21)19-9-13-32-17-19)16-27-11-12-31-25-6-2-5-23-22(25)4-3-10-28-23/h2-10,13-15,17,27H,11-12,16H2,1H3
InChIKeyKCEUYYCYPILDSU-UHFFFAOYSA-N
MW441.56 g/mol
LogP5.69
Rot. Bonds8

About N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-2-quinolin-5-yloxyethanamine

N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-2-quinolin-5-yloxyethanamine (PubChem CID 59804021) has the molecular formula C26H23N3O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-2-quinolin-5-yloxyethanamine.

Molecular Properties

Compound NameN-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-2-quinolin-5-yloxyethanamine
PubChem CID59804021
Molecular FormulaC26H23N3O2S
Molecular Weight441.56 g/mol
Exact Mass441.15
IUPAC NameN-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-2-quinolin-5-yloxyethanamine
SMILESCOc1ccc2cc(CNCCOc3cccc4ncccc34)c(-c3ccsc3)nc2c1
InChIInChI=1S/C26H23N3O2S/c1-30-21-8-7-18-14-20(26(29-24(18)15-21)19-9-13-32-17-19)16-27-11-12-31-25-6-2-5-23-22(25)4-3-10-28-23/h2-10,13-15,17,27H,11-12,16H2,1H3
InChIKeyKCEUYYCYPILDSU-UHFFFAOYSA-N
XLogP5.69
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-2-quinolin-5-yloxyethanamine?
The IUPAC name of N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-2-quinolin-5-yloxyethanamine (CID 59804021) is N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-2-quinolin-5-yloxyethanamine.
What is the SMILES notation for N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-2-quinolin-5-yloxyethanamine?
The canonical SMILES for N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-2-quinolin-5-yloxyethanamine is COc1ccc2cc(CNCCOc3cccc4ncccc34)c(-c3ccsc3)nc2c1.
What is the InChIKey of N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-2-quinolin-5-yloxyethanamine?
The InChIKey is KCEUYYCYPILDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2S/c1-30-21-8-7-18-14-20(26(29-24(18)15-21)19-9-13-32-17-19)16-27-11-12-31-25-6-2-5-23-22(25)4-3-10-28-23/h2-10,13-15,17,27H,11-12,16H2,1H3.
What are the key properties of N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-2-quinolin-5-yloxyethanamine?
N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-2-quinolin-5-yloxyethanamine has a molecular weight of 441.56 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-2-quinolin-5-yloxyethanamine is sourced from PubChem (CID 59804021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).