2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C23H22ClN3O4 — CID 46282660

IUPAC2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc2c(=O)c(C(=O)c3ccc(Cl)cc3)cn(CC(=O)NCC3CCCO3)c2n1
InChIInChI=1S/C23H22ClN3O4/c1-14-4-9-18-22(30)19(21(29)15-5-7-16(24)8-6-15)12-27(23(18)26-14)13-20(28)25-11-17-3-2-10-31-17/h4-9,12,17H,2-3,10-11,13H2,1H3,(H,25,28)
InChIKeyFCQYKWDAJJVRHT-UHFFFAOYSA-N
MW439.90 g/mol
LogP2.88
Rot. Bonds6

About 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 46282660) has the molecular formula C23H22ClN3O4 and a molecular weight of 439.90 g/mol. Its IUPAC name is 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID46282660
Molecular FormulaC23H22ClN3O4
Molecular Weight439.90 g/mol
Exact Mass439.13
IUPAC Name2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc2c(=O)c(C(=O)c3ccc(Cl)cc3)cn(CC(=O)NCC3CCCO3)c2n1
InChIInChI=1S/C23H22ClN3O4/c1-14-4-9-18-22(30)19(21(29)15-5-7-16(24)8-6-15)12-27(23(18)26-14)13-20(28)25-11-17-3-2-10-31-17/h4-9,12,17H,2-3,10-11,13H2,1H3,(H,25,28)
InChIKeyFCQYKWDAJJVRHT-UHFFFAOYSA-N
XLogP2.88
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide with MolForge

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Related Compounds

N-benzyl-2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929809
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46925423
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 17033154
N-butan-2-yl-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 22424419
2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 20929787
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16935785
ethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 50790358
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 939665
2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 126478767
N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide
CID 53087029
1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 53007734
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 963184

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 46282660) is 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc2c(=O)c(C(=O)c3ccc(Cl)cc3)cn(CC(=O)NCC3CCCO3)c2n1.
What is the InChIKey of 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is FCQYKWDAJJVRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4/c1-14-4-9-18-22(30)19(21(29)15-5-7-16(24)8-6-15)12-27(23(18)26-14)13-20(28)25-11-17-3-2-10-31-17/h4-9,12,17H,2-3,10-11,13H2,1H3,(H,25,28).
What are the key properties of 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 439.90 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 46282660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).