5,8-diethoxy-3-(4-methoxyphenyl)-6-phenacyl-1H-quinolin-4-one

C28H27NO5 — CID 58465340

IUPAC5,8-diethoxy-3-(4-methoxyphenyl)-6-phenacyl-1H-quinolin-4-one
SMILESCCOc1cc(CC(=O)c2ccccc2)c(OCC)c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12
InChIInChI=1S/C28H27NO5/c1-4-33-24-16-20(15-23(30)19-9-7-6-8-10-19)28(34-5-2)25-26(24)29-17-22(27(25)31)18-11-13-21(32-3)14-12-18/h6-14,16-17H,4-5,15H2,1-3H3,(H,29,31)
InChIKeyUVVQYSXYBMZZRH-UHFFFAOYSA-N
MW457.53 g/mol
LogP5.43
Rot. Bonds9

About 5,8-diethoxy-3-(4-methoxyphenyl)-6-phenacyl-1H-quinolin-4-one

5,8-diethoxy-3-(4-methoxyphenyl)-6-phenacyl-1H-quinolin-4-one (PubChem CID 58465340) has the molecular formula C28H27NO5 and a molecular weight of 457.53 g/mol. Its IUPAC name is 5,8-diethoxy-3-(4-methoxyphenyl)-6-phenacyl-1H-quinolin-4-one.

Molecular Properties

Compound Name5,8-diethoxy-3-(4-methoxyphenyl)-6-phenacyl-1H-quinolin-4-one
PubChem CID58465340
Molecular FormulaC28H27NO5
Molecular Weight457.53 g/mol
Exact Mass457.19
IUPAC Name5,8-diethoxy-3-(4-methoxyphenyl)-6-phenacyl-1H-quinolin-4-one
SMILESCCOc1cc(CC(=O)c2ccccc2)c(OCC)c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12
InChIInChI=1S/C28H27NO5/c1-4-33-24-16-20(15-23(30)19-9-7-6-8-10-19)28(34-5-2)25-26(24)29-17-22(27(25)31)18-11-13-21(32-3)14-12-18/h6-14,16-17H,4-5,15H2,1-3H3,(H,29,31)
InChIKeyUVVQYSXYBMZZRH-UHFFFAOYSA-N
XLogP5.43
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,8-diethoxy-3-(4-methoxyphenyl)-6-phenacyl-1H-quinolin-4-one?
The IUPAC name of 5,8-diethoxy-3-(4-methoxyphenyl)-6-phenacyl-1H-quinolin-4-one (CID 58465340) is 5,8-diethoxy-3-(4-methoxyphenyl)-6-phenacyl-1H-quinolin-4-one.
What is the SMILES notation for 5,8-diethoxy-3-(4-methoxyphenyl)-6-phenacyl-1H-quinolin-4-one?
The canonical SMILES for 5,8-diethoxy-3-(4-methoxyphenyl)-6-phenacyl-1H-quinolin-4-one is CCOc1cc(CC(=O)c2ccccc2)c(OCC)c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12.
What is the InChIKey of 5,8-diethoxy-3-(4-methoxyphenyl)-6-phenacyl-1H-quinolin-4-one?
The InChIKey is UVVQYSXYBMZZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO5/c1-4-33-24-16-20(15-23(30)19-9-7-6-8-10-19)28(34-5-2)25-26(24)29-17-22(27(25)31)18-11-13-21(32-3)14-12-18/h6-14,16-17H,4-5,15H2,1-3H3,(H,29,31).
What are the key properties of 5,8-diethoxy-3-(4-methoxyphenyl)-6-phenacyl-1H-quinolin-4-one?
5,8-diethoxy-3-(4-methoxyphenyl)-6-phenacyl-1H-quinolin-4-one has a molecular weight of 457.53 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diethoxy-3-(4-methoxyphenyl)-6-phenacyl-1H-quinolin-4-one is sourced from PubChem (CID 58465340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).