2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide

C24H18ClN5O4 — CID 46390911

IUPAC2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(CC(=O)NCc3ccco3)c2n1
InChIInChI=1S/C24H18ClN5O4/c1-14-4-9-18-21(32)19(24-28-22(29-34-24)15-5-7-16(25)8-6-15)12-30(23(18)27-14)13-20(31)26-11-17-3-2-10-33-17/h2-10,12H,11,13H2,1H3,(H,26,31)
InChIKeyBOKLOMQCBDLUSJ-UHFFFAOYSA-N
MW475.89 g/mol
LogP3.98
Rot. Bonds6

About 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 46390911) has the molecular formula C24H18ClN5O4 and a molecular weight of 475.89 g/mol. Its IUPAC name is 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID46390911
Molecular FormulaC24H18ClN5O4
Molecular Weight475.89 g/mol
Exact Mass475.10
IUPAC Name2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(CC(=O)NCc3ccco3)c2n1
InChIInChI=1S/C24H18ClN5O4/c1-14-4-9-18-21(32)19(24-28-22(29-34-24)15-5-7-16(25)8-6-15)12-30(23(18)27-14)13-20(31)26-11-17-3-2-10-33-17/h2-10,12H,11,13H2,1H3,(H,26,31)
InChIKeyBOKLOMQCBDLUSJ-UHFFFAOYSA-N
XLogP3.98
TPSA116.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.89
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 46390911) is 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide is Cc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(CC(=O)NCc3ccco3)c2n1.
What is the InChIKey of 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is BOKLOMQCBDLUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O4/c1-14-4-9-18-21(32)19(24-28-22(29-34-24)15-5-7-16(25)8-6-15)12-30(23(18)27-14)13-20(31)26-11-17-3-2-10-33-17/h2-10,12H,11,13H2,1H3,(H,26,31).
What are the key properties of 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 475.89 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 46390911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).