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

C27H22ClN5O4 — CID 166596701

IUPACN-[(2-chlorophenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
SMILESCOc1ccc(-c2noc(-c3cn(CC(=O)NCc4ccccc4Cl)c4nc(C)ccc4c3=O)n2)cc1
InChIInChI=1S/C27H22ClN5O4/c1-16-7-12-20-24(35)21(27-31-25(32-37-27)17-8-10-19(36-2)11-9-17)14-33(26(20)30-16)15-23(34)29-13-18-5-3-4-6-22(18)28/h3-12,14H,13,15H2,1-2H3,(H,29,34)
InChIKeyYBVUEWQTHVJWLH-UHFFFAOYSA-N
MW515.96 g/mol
LogP4.40
Rot. Bonds7

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

N-[(2-chlorophenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide (PubChem CID 166596701) has the molecular formula C27H22ClN5O4 and a molecular weight of 515.96 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
PubChem CID166596701
Molecular FormulaC27H22ClN5O4
Molecular Weight515.96 g/mol
Exact Mass515.14
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
SMILESCOc1ccc(-c2noc(-c3cn(CC(=O)NCc4ccccc4Cl)c4nc(C)ccc4c3=O)n2)cc1
InChIInChI=1S/C27H22ClN5O4/c1-16-7-12-20-24(35)21(27-31-25(32-37-27)17-8-10-19(36-2)11-9-17)14-33(26(20)30-16)15-23(34)29-13-18-5-3-4-6-22(18)28/h3-12,14H,13,15H2,1-2H3,(H,29,34)
InChIKeyYBVUEWQTHVJWLH-UHFFFAOYSA-N
XLogP4.40
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.96
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833391
2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methylphenyl)acetamide
CID 50833410
N-(2-ethylphenyl)-2-[7-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833323
N-[(3-methoxyphenyl)methyl]-2-[7-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833394
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 51612324
methyl 1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940951
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide
CID 50833367
2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 22424622
N-(3-fluorophenyl)-2-[7-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833300
N-[(2-chlorophenyl)methyl]-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 51366753
methyl 4-[[2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetyl]amino]benzoate
CID 50833374
N-(4-ethylphenyl)-2-[7-methyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833388

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide (CID 166596701) is N-[(2-chlorophenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide is COc1ccc(-c2noc(-c3cn(CC(=O)NCc4ccccc4Cl)c4nc(C)ccc4c3=O)n2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The InChIKey is YBVUEWQTHVJWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN5O4/c1-16-7-12-20-24(35)21(27-31-25(32-37-27)17-8-10-19(36-2)11-9-17)14-33(26(20)30-16)15-23(34)29-13-18-5-3-4-6-22(18)28/h3-12,14H,13,15H2,1-2H3,(H,29,34).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide has a molecular weight of 515.96 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide is sourced from PubChem (CID 166596701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).