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

C28H27Cl3N4O — CID 22648199

IUPAC5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one
SMILESCC(C)N1CCC(Nc2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C28H27Cl3N4O/c1-17(2)34-14-12-18(13-15-34)32-25-16-24-20(27(33-25)19-6-3-4-7-21(19)29)10-11-26(36)35(24)28-22(30)8-5-9-23(28)31/h3-11,16-18H,12-15H2,1-2H3,(H,32,33)
InChIKeyJEBBTQWFFYQVCM-UHFFFAOYSA-N
MW541.91 g/mol
LogP7.30
Rot. Bonds5

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

5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one (PubChem CID 22648199) has the molecular formula C28H27Cl3N4O and a molecular weight of 541.91 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one
PubChem CID22648199
Molecular FormulaC28H27Cl3N4O
Molecular Weight541.91 g/mol
Exact Mass540.13
IUPAC Name5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one
SMILESCC(C)N1CCC(Nc2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C28H27Cl3N4O/c1-17(2)34-14-12-18(13-15-34)32-25-16-24-20(27(33-25)19-6-3-4-7-21(19)29)10-11-26(36)35(24)28-22(30)8-5-9-23(28)31/h3-11,16-18H,12-15H2,1-2H3,(H,32,33)
InChIKeyJEBBTQWFFYQVCM-UHFFFAOYSA-N
XLogP7.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.91
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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)amino]-1,6-naphthyridin-2-one?
The IUPAC name of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one (CID 22648199) is 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-propan-2-ylpiperidin-4-yl)amino]-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)amino]-1,6-naphthyridin-2-one?
The canonical SMILES for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one is CC(C)N1CCC(Nc2cc3c(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)amino]-1,6-naphthyridin-2-one?
The InChIKey is JEBBTQWFFYQVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl3N4O/c1-17(2)34-14-12-18(13-15-34)32-25-16-24-20(27(33-25)19-6-3-4-7-21(19)29)10-11-26(36)35(24)28-22(30)8-5-9-23(28)31/h3-11,16-18H,12-15H2,1-2H3,(H,32,33).
What are the key properties of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one?
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one has a molecular weight of 541.91 g/mol, XLogP of 7.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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)amino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 22648199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).