5-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-2H-pyridin-3-yl]-2-methylaniline

C24H25N3O2 — CID 91597127

IUPAC5-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-2H-pyridin-3-yl]-2-methylaniline
SMILESCOc1ccc2c(OCCN3C=CC=C(c4ccc(C)c(N)c4)C3)ccnc2c1
InChIInChI=1S/C24H25N3O2/c1-17-5-6-18(14-22(17)25)19-4-3-11-27(16-19)12-13-29-24-9-10-26-23-15-20(28-2)7-8-21(23)24/h3-11,14-15H,12-13,16,25H2,1-2H3
InChIKeyLVPUWWJUVBIJEE-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.43
Rot. Bonds6

About 5-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-2H-pyridin-3-yl]-2-methylaniline

5-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-2H-pyridin-3-yl]-2-methylaniline (PubChem CID 91597127) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 5-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-2H-pyridin-3-yl]-2-methylaniline.

Molecular Properties

Compound Name5-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-2H-pyridin-3-yl]-2-methylaniline
PubChem CID91597127
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name5-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-2H-pyridin-3-yl]-2-methylaniline
SMILESCOc1ccc2c(OCCN3C=CC=C(c4ccc(C)c(N)c4)C3)ccnc2c1
InChIInChI=1S/C24H25N3O2/c1-17-5-6-18(14-22(17)25)19-4-3-11-27(16-19)12-13-29-24-9-10-26-23-15-20(28-2)7-8-21(23)24/h3-11,14-15H,12-13,16,25H2,1-2H3
InChIKeyLVPUWWJUVBIJEE-UHFFFAOYSA-N
XLogP4.43
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,7-dimethoxyquinoline
CID 20743716
4-[2-[5-(4-fluoro-2-methylphenyl)-2H-pyridin-1-yl]ethoxy]-7-methoxyquinoline
CID 154459489
4-[2-[5-(3-fluorophenyl)-2H-pyridin-1-yl]ethoxy]-7-methoxyquinoline
CID 151206568
5-(4-isocyanophenyl)-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one
CID 59843024
1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-naphthalen-2-ylpyridin-2-one
CID 59843103
6-(4-fluorophenyl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one
CID 25019685
2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-phenylpyridazin-3-one
CID 25016340
2-fluoro-4-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzoic acid
CID 25017639
5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one
CID 25019422
2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(5-methyl-2-pyridinyl)pyridazin-3-one
CID 25016081
6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one
CID 59843083
5-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]-3-methyl-1H-benzimidazol-2-one
CID 25017885

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-2H-pyridin-3-yl]-2-methylaniline?
The IUPAC name of 5-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-2H-pyridin-3-yl]-2-methylaniline (CID 91597127) is 5-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-2H-pyridin-3-yl]-2-methylaniline.
What is the SMILES notation for 5-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-2H-pyridin-3-yl]-2-methylaniline?
The canonical SMILES for 5-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-2H-pyridin-3-yl]-2-methylaniline is COc1ccc2c(OCCN3C=CC=C(c4ccc(C)c(N)c4)C3)ccnc2c1.
What is the InChIKey of 5-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-2H-pyridin-3-yl]-2-methylaniline?
The InChIKey is LVPUWWJUVBIJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17-5-6-18(14-22(17)25)19-4-3-11-27(16-19)12-13-29-24-9-10-26-23-15-20(28-2)7-8-21(23)24/h3-11,14-15H,12-13,16,25H2,1-2H3.
What are the key properties of 5-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-2H-pyridin-3-yl]-2-methylaniline?
5-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-2H-pyridin-3-yl]-2-methylaniline has a molecular weight of 387.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-2H-pyridin-3-yl]-2-methylaniline is sourced from PubChem (CID 91597127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).