5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-2-one

C28H26Cl3N3O — CID 22648204

IUPAC5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-2-one
SMILESCC(C)N1CCC(c2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C28H26Cl3N3O/c1-17(2)33-14-12-18(13-15-33)24-16-25-20(27(32-24)19-6-3-4-7-21(19)29)10-11-26(35)34(25)28-22(30)8-5-9-23(28)31/h3-11,16-18H,12-15H2,1-2H3
InChIKeyWTYSITXLWIBADH-UHFFFAOYSA-N
MW526.90 g/mol
LogP7.60
Rot. Bonds4

About 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-2-one

5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-2-one (PubChem CID 22648204) has the molecular formula C28H26Cl3N3O and a molecular weight of 526.90 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-2-one
PubChem CID22648204
Molecular FormulaC28H26Cl3N3O
Molecular Weight526.90 g/mol
Exact Mass525.11
IUPAC Name5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-2-one
SMILESCC(C)N1CCC(c2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C28H26Cl3N3O/c1-17(2)33-14-12-18(13-15-33)24-16-25-20(27(32-24)19-6-3-4-7-21(19)29)10-11-26(35)34(25)28-22(30)8-5-9-23(28)31/h3-11,16-18H,12-15H2,1-2H3
InChIKeyWTYSITXLWIBADH-UHFFFAOYSA-N
XLogP7.60
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.90
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-2-one?
The IUPAC name of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-2-one (CID 22648204) is 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-2-one.
What is the SMILES notation for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-2-one?
The canonical SMILES for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-2-one is CC(C)N1CCC(c2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccccc3Cl)n2)CC1.
What is the InChIKey of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-2-one?
The InChIKey is WTYSITXLWIBADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl3N3O/c1-17(2)33-14-12-18(13-15-33)24-16-25-20(27(32-24)19-6-3-4-7-21(19)29)10-11-26(35)34(25)28-22(30)8-5-9-23(28)31/h3-11,16-18H,12-15H2,1-2H3.
What are the key properties of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-2-one?
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-2-one has a molecular weight of 526.90 g/mol, XLogP of 7.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-2-one is sourced from PubChem (CID 22648204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).