2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(8-methoxyquinolin-5-yl)acetamide

C19H18N6O4 — CID 23610230

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(8-methoxyquinolin-5-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)c2cccnc12
InChIInChI=1S/C19H18N6O4/c1-23-17-16(18(27)24(2)19(23)28)21-10-25(17)9-14(26)22-12-6-7-13(29-3)15-11(12)5-4-8-20-15/h4-8,10H,9H2,1-3H3,(H,22,26)
InChIKeyBUBQLTGVUUCTAF-UHFFFAOYSA-N
MW394.39 g/mol
LogP0.63
Rot. Bonds4

About 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(8-methoxyquinolin-5-yl)acetamide

2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(8-methoxyquinolin-5-yl)acetamide (PubChem CID 23610230) has the molecular formula C19H18N6O4 and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(8-methoxyquinolin-5-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(8-methoxyquinolin-5-yl)acetamide
PubChem CID23610230
Molecular FormulaC19H18N6O4
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(8-methoxyquinolin-5-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)c2cccnc12
InChIInChI=1S/C19H18N6O4/c1-23-17-16(18(27)24(2)19(23)28)21-10-25(17)9-14(26)22-12-6-7-13(29-3)15-11(12)5-4-8-20-15/h4-8,10H,9H2,1-3H3,(H,22,26)
InChIKeyBUBQLTGVUUCTAF-UHFFFAOYSA-N
XLogP0.63
TPSA113.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(8-methoxyquinolin-5-yl)acetamide with MolForge

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
CID 23610222
2-(4-methoxyphenoxy)-N-(8-methoxyquinolin-5-yl)acetamide
CID 26823047
methyl 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetate
CID 6472299
N-(8-methoxyquinolin-5-yl)-3-methylbutanamide
CID 26823099
4-methoxy-N-(8-methoxyquinolin-5-yl)butanamide
CID 47383104
N-(8-methoxyquinolin-5-yl)-2-propan-2-ylsulfonylacetamide
CID 86835306
2-(3,4-dichlorophenyl)-N-(8-methoxyquinolin-5-yl)acetamide
CID 60575303
2-(4-bromophenoxy)-N-(8-methoxyquinolin-5-yl)acetamide
CID 35577767
2-(4-chlorophenoxy)-N-(8-methoxyquinolin-5-yl)acetamide
CID 26823034
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136
(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylbutanamide
CID 100776127
N-(2-methoxyphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397655

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(8-methoxyquinolin-5-yl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(8-methoxyquinolin-5-yl)acetamide (CID 23610230) is 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(8-methoxyquinolin-5-yl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(8-methoxyquinolin-5-yl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(8-methoxyquinolin-5-yl)acetamide is COc1ccc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)c2cccnc12.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(8-methoxyquinolin-5-yl)acetamide?
The InChIKey is BUBQLTGVUUCTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O4/c1-23-17-16(18(27)24(2)19(23)28)21-10-25(17)9-14(26)22-12-6-7-13(29-3)15-11(12)5-4-8-20-15/h4-8,10H,9H2,1-3H3,(H,22,26).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(8-methoxyquinolin-5-yl)acetamide?
2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(8-methoxyquinolin-5-yl)acetamide has a molecular weight of 394.39 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(8-methoxyquinolin-5-yl)acetamide is sourced from PubChem (CID 23610230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).