N-[(6-ethoxyquinolin-2-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine

C24H26N4O — CID 45168343

IUPACN-[(6-ethoxyquinolin-2-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
SMILESCCOc1ccc2nc(CNC(C)c3cnn(-c4ccccc4)c3C)ccc2c1
InChIInChI=1S/C24H26N4O/c1-4-29-22-12-13-24-19(14-22)10-11-20(27-24)15-25-17(2)23-16-26-28(18(23)3)21-8-6-5-7-9-21/h5-14,16-17,25H,4,15H2,1-3H3
InChIKeyOHZUKMMRJQVFMB-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.98
Rot. Bonds7

About N-[(6-ethoxyquinolin-2-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine

N-[(6-ethoxyquinolin-2-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine (PubChem CID 45168343) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(6-ethoxyquinolin-2-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(6-ethoxyquinolin-2-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
PubChem CID45168343
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-[(6-ethoxyquinolin-2-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
SMILESCCOc1ccc2nc(CNC(C)c3cnn(-c4ccccc4)c3C)ccc2c1
InChIInChI=1S/C24H26N4O/c1-4-29-22-12-13-24-19(14-22)10-11-20(27-24)15-25-17(2)23-16-26-28(18(23)3)21-8-6-5-7-9-21/h5-14,16-17,25H,4,15H2,1-3H3
InChIKeyOHZUKMMRJQVFMB-UHFFFAOYSA-N
XLogP4.98
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-ethoxyquinolin-2-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(6-ethoxyquinolin-2-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine (CID 45168343) is N-[(6-ethoxyquinolin-2-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(6-ethoxyquinolin-2-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(6-ethoxyquinolin-2-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine is CCOc1ccc2nc(CNC(C)c3cnn(-c4ccccc4)c3C)ccc2c1.
What is the InChIKey of N-[(6-ethoxyquinolin-2-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine?
The InChIKey is OHZUKMMRJQVFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-4-29-22-12-13-24-19(14-22)10-11-20(27-24)15-25-17(2)23-16-26-28(18(23)3)21-8-6-5-7-9-21/h5-14,16-17,25H,4,15H2,1-3H3.
What are the key properties of N-[(6-ethoxyquinolin-2-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine?
N-[(6-ethoxyquinolin-2-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine has a molecular weight of 386.50 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethoxyquinolin-2-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 45168343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).