5-[3-[[4-(3-ethylquinolin-2-yl)phenyl]methoxy]-1-methylpyrazol-4-yl]-1-methylpyridin-2-one

C28H26N4O2 — CID 66555443

IUPAC5-[3-[[4-(3-ethylquinolin-2-yl)phenyl]methoxy]-1-methylpyrazol-4-yl]-1-methylpyridin-2-one
SMILESCCc1cc2ccccc2nc1-c1ccc(COc2nn(C)cc2-c2ccc(=O)n(C)c2)cc1
InChIInChI=1S/C28H26N4O2/c1-4-20-15-22-7-5-6-8-25(22)29-27(20)21-11-9-19(10-12-21)18-34-28-24(17-32(3)30-28)23-13-14-26(33)31(2)16-23/h5-17H,4,18H2,1-3H3
InChIKeyGUOXYEVWGNPIGO-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.14
Rot. Bonds6

About 5-[3-[[4-(3-ethylquinolin-2-yl)phenyl]methoxy]-1-methylpyrazol-4-yl]-1-methylpyridin-2-one

5-[3-[[4-(3-ethylquinolin-2-yl)phenyl]methoxy]-1-methylpyrazol-4-yl]-1-methylpyridin-2-one (PubChem CID 66555443) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 5-[3-[[4-(3-ethylquinolin-2-yl)phenyl]methoxy]-1-methylpyrazol-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[3-[[4-(3-ethylquinolin-2-yl)phenyl]methoxy]-1-methylpyrazol-4-yl]-1-methylpyridin-2-one
PubChem CID66555443
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name5-[3-[[4-(3-ethylquinolin-2-yl)phenyl]methoxy]-1-methylpyrazol-4-yl]-1-methylpyridin-2-one
SMILESCCc1cc2ccccc2nc1-c1ccc(COc2nn(C)cc2-c2ccc(=O)n(C)c2)cc1
InChIInChI=1S/C28H26N4O2/c1-4-20-15-22-7-5-6-8-25(22)29-27(20)21-11-9-19(10-12-21)18-34-28-24(17-32(3)30-28)23-13-14-26(33)31(2)16-23/h5-17H,4,18H2,1-3H3
InChIKeyGUOXYEVWGNPIGO-UHFFFAOYSA-N
XLogP5.14
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[[4-(3-ethylquinolin-2-yl)phenyl]methoxy]-1-methylpyrazol-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[3-[[4-(3-ethylquinolin-2-yl)phenyl]methoxy]-1-methylpyrazol-4-yl]-1-methylpyridin-2-one (CID 66555443) is 5-[3-[[4-(3-ethylquinolin-2-yl)phenyl]methoxy]-1-methylpyrazol-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[3-[[4-(3-ethylquinolin-2-yl)phenyl]methoxy]-1-methylpyrazol-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[3-[[4-(3-ethylquinolin-2-yl)phenyl]methoxy]-1-methylpyrazol-4-yl]-1-methylpyridin-2-one is CCc1cc2ccccc2nc1-c1ccc(COc2nn(C)cc2-c2ccc(=O)n(C)c2)cc1.
What is the InChIKey of 5-[3-[[4-(3-ethylquinolin-2-yl)phenyl]methoxy]-1-methylpyrazol-4-yl]-1-methylpyridin-2-one?
The InChIKey is GUOXYEVWGNPIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-4-20-15-22-7-5-6-8-25(22)29-27(20)21-11-9-19(10-12-21)18-34-28-24(17-32(3)30-28)23-13-14-26(33)31(2)16-23/h5-17H,4,18H2,1-3H3.
What are the key properties of 5-[3-[[4-(3-ethylquinolin-2-yl)phenyl]methoxy]-1-methylpyrazol-4-yl]-1-methylpyridin-2-one?
5-[3-[[4-(3-ethylquinolin-2-yl)phenyl]methoxy]-1-methylpyrazol-4-yl]-1-methylpyridin-2-one has a molecular weight of 450.54 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[4-(3-ethylquinolin-2-yl)phenyl]methoxy]-1-methylpyrazol-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 66555443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).