N-[3-chloro-7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide

C27H24Cl3N3O3 — CID 143048715

IUPACN-[3-chloro-7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide
SMILESCc1cc(Cl)ccc1-c1nc2c(cc1-c1ccc(Cl)cc1)c(NC(=O)CO)c(Cl)c(=O)n2CC(C)C
InChIInChI=1S/C27H24Cl3N3O3/c1-14(2)12-33-26-21(25(23(30)27(33)36)31-22(35)13-34)11-20(16-4-6-17(28)7-5-16)24(32-26)19-9-8-18(29)10-15(19)3/h4-11,14,34H,12-13H2,1-3H3,(H,31,35)
InChIKeyRFZKCYUEISJSEH-UHFFFAOYSA-N
MW544.87 g/mol
LogP6.59
Rot. Bonds6

About N-[3-chloro-7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide

N-[3-chloro-7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide (PubChem CID 143048715) has the molecular formula C27H24Cl3N3O3 and a molecular weight of 544.87 g/mol. Its IUPAC name is N-[3-chloro-7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-chloro-7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide
PubChem CID143048715
Molecular FormulaC27H24Cl3N3O3
Molecular Weight544.87 g/mol
Exact Mass543.09
IUPAC NameN-[3-chloro-7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide
SMILESCc1cc(Cl)ccc1-c1nc2c(cc1-c1ccc(Cl)cc1)c(NC(=O)CO)c(Cl)c(=O)n2CC(C)C
InChIInChI=1S/C27H24Cl3N3O3/c1-14(2)12-33-26-21(25(23(30)27(33)36)31-22(35)13-34)11-20(16-4-6-17(28)7-5-16)24(32-26)19-9-8-18(29)10-15(19)3/h4-11,14,34H,12-13H2,1-3H3,(H,31,35)
InChIKeyRFZKCYUEISJSEH-UHFFFAOYSA-N
XLogP6.59
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.87
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide?
The IUPAC name of N-[3-chloro-7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide (CID 143048715) is N-[3-chloro-7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-chloro-7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-chloro-7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide is Cc1cc(Cl)ccc1-c1nc2c(cc1-c1ccc(Cl)cc1)c(NC(=O)CO)c(Cl)c(=O)n2CC(C)C.
What is the InChIKey of N-[3-chloro-7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide?
The InChIKey is RFZKCYUEISJSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl3N3O3/c1-14(2)12-33-26-21(25(23(30)27(33)36)31-22(35)13-34)11-20(16-4-6-17(28)7-5-16)24(32-26)19-9-8-18(29)10-15(19)3/h4-11,14,34H,12-13H2,1-3H3,(H,31,35).
What are the key properties of N-[3-chloro-7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide?
N-[3-chloro-7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide has a molecular weight of 544.87 g/mol, XLogP of 6.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide is sourced from PubChem (CID 143048715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).