3-[3-(4-ethylphenyl)-5-methoxy-6-methylquinolin-8-yl]-1H-pyridin-2-one

C24H22N2O2 — CID 91173775

IUPAC3-[3-(4-ethylphenyl)-5-methoxy-6-methylquinolin-8-yl]-1H-pyridin-2-one
SMILESCCc1ccc(-c2cnc3c(-c4ccc[nH]c4=O)cc(C)c(OC)c3c2)cc1
InChIInChI=1S/C24H22N2O2/c1-4-16-7-9-17(10-8-16)18-13-21-22(26-14-18)20(12-15(2)23(21)28-3)19-6-5-11-25-24(19)27/h5-14H,4H2,1-3H3,(H,25,27)
InChIKeyKQTIQGUKSNEYLH-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.14
Rot. Bonds4

About 3-[3-(4-ethylphenyl)-5-methoxy-6-methylquinolin-8-yl]-1H-pyridin-2-one

3-[3-(4-ethylphenyl)-5-methoxy-6-methylquinolin-8-yl]-1H-pyridin-2-one (PubChem CID 91173775) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[3-(4-ethylphenyl)-5-methoxy-6-methylquinolin-8-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(4-ethylphenyl)-5-methoxy-6-methylquinolin-8-yl]-1H-pyridin-2-one
PubChem CID91173775
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name3-[3-(4-ethylphenyl)-5-methoxy-6-methylquinolin-8-yl]-1H-pyridin-2-one
SMILESCCc1ccc(-c2cnc3c(-c4ccc[nH]c4=O)cc(C)c(OC)c3c2)cc1
InChIInChI=1S/C24H22N2O2/c1-4-16-7-9-17(10-8-16)18-13-21-22(26-14-18)20(12-15(2)23(21)28-3)19-6-5-11-25-24(19)27/h5-14H,4H2,1-3H3,(H,25,27)
InChIKeyKQTIQGUKSNEYLH-UHFFFAOYSA-N
XLogP5.14
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethylphenyl)-5-methoxy-6-methylquinolin-8-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[3-(4-ethylphenyl)-5-methoxy-6-methylquinolin-8-yl]-1H-pyridin-2-one (CID 91173775) is 3-[3-(4-ethylphenyl)-5-methoxy-6-methylquinolin-8-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(4-ethylphenyl)-5-methoxy-6-methylquinolin-8-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(4-ethylphenyl)-5-methoxy-6-methylquinolin-8-yl]-1H-pyridin-2-one is CCc1ccc(-c2cnc3c(-c4ccc[nH]c4=O)cc(C)c(OC)c3c2)cc1.
What is the InChIKey of 3-[3-(4-ethylphenyl)-5-methoxy-6-methylquinolin-8-yl]-1H-pyridin-2-one?
The InChIKey is KQTIQGUKSNEYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-4-16-7-9-17(10-8-16)18-13-21-22(26-14-18)20(12-15(2)23(21)28-3)19-6-5-11-25-24(19)27/h5-14H,4H2,1-3H3,(H,25,27).
What are the key properties of 3-[3-(4-ethylphenyl)-5-methoxy-6-methylquinolin-8-yl]-1H-pyridin-2-one?
3-[3-(4-ethylphenyl)-5-methoxy-6-methylquinolin-8-yl]-1H-pyridin-2-one has a molecular weight of 370.45 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethylphenyl)-5-methoxy-6-methylquinolin-8-yl]-1H-pyridin-2-one is sourced from PubChem (CID 91173775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).