1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(1,4-dihydropyridin-4-yl)-3,4-dihydroquinolin-2-one

C26H18Cl2F2N2O — CID 23586009

IUPAC1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(1,4-dihydropyridin-4-yl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2c(-c3ccc(F)cc3F)cc(C3C=CNC=C3)cc2N1c1c(Cl)cccc1Cl
InChIInChI=1S/C26H18Cl2F2N2O/c27-21-2-1-3-22(28)26(21)32-24-13-16(15-8-10-31-11-9-15)12-20(19(24)6-7-25(32)33)18-5-4-17(29)14-23(18)30/h1-5,8-15,31H,6-7H2
InChIKeyRMGSCCYEAQYJKP-UHFFFAOYSA-N
MW483.35 g/mol
LogP7.26
Rot. Bonds3

About 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(1,4-dihydropyridin-4-yl)-3,4-dihydroquinolin-2-one

1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(1,4-dihydropyridin-4-yl)-3,4-dihydroquinolin-2-one (PubChem CID 23586009) has the molecular formula C26H18Cl2F2N2O and a molecular weight of 483.35 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(1,4-dihydropyridin-4-yl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(1,4-dihydropyridin-4-yl)-3,4-dihydroquinolin-2-one
PubChem CID23586009
Molecular FormulaC26H18Cl2F2N2O
Molecular Weight483.35 g/mol
Exact Mass482.08
IUPAC Name1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(1,4-dihydropyridin-4-yl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2c(-c3ccc(F)cc3F)cc(C3C=CNC=C3)cc2N1c1c(Cl)cccc1Cl
InChIInChI=1S/C26H18Cl2F2N2O/c27-21-2-1-3-22(28)26(21)32-24-13-16(15-8-10-31-11-9-15)12-20(19(24)6-7-25(32)33)18-5-4-17(29)14-23(18)30/h1-5,8-15,31H,6-7H2
InChIKeyRMGSCCYEAQYJKP-UHFFFAOYSA-N
XLogP7.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.35
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(1,4-dihydropyridin-4-yl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(1,4-dihydropyridin-4-yl)-3,4-dihydroquinolin-2-one (CID 23586009) is 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(1,4-dihydropyridin-4-yl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(1,4-dihydropyridin-4-yl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(1,4-dihydropyridin-4-yl)-3,4-dihydroquinolin-2-one is O=C1CCc2c(-c3ccc(F)cc3F)cc(C3C=CNC=C3)cc2N1c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(1,4-dihydropyridin-4-yl)-3,4-dihydroquinolin-2-one?
The InChIKey is RMGSCCYEAQYJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2F2N2O/c27-21-2-1-3-22(28)26(21)32-24-13-16(15-8-10-31-11-9-15)12-20(19(24)6-7-25(32)33)18-5-4-17(29)14-23(18)30/h1-5,8-15,31H,6-7H2.
What are the key properties of 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(1,4-dihydropyridin-4-yl)-3,4-dihydroquinolin-2-one?
1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(1,4-dihydropyridin-4-yl)-3,4-dihydroquinolin-2-one has a molecular weight of 483.35 g/mol, XLogP of 7.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(1,4-dihydropyridin-4-yl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 23586009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).