N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(quinolin-5-ylmethyl)acetamide

C18H18N4O3 — CID 56882052

IUPACN-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(quinolin-5-ylmethyl)acetamide
SMILESCc1cn(CC(=O)N(C)Cc2cccc3ncccc23)c(=O)[nH]c1=O
InChIInChI=1S/C18H18N4O3/c1-12-9-22(18(25)20-17(12)24)11-16(23)21(2)10-13-5-3-7-15-14(13)6-4-8-19-15/h3-9H,10-11H2,1-2H3,(H,20,24,25)
InChIKeyZBZKSFCDADKEGF-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.05
Rot. Bonds4

About N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(quinolin-5-ylmethyl)acetamide

N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(quinolin-5-ylmethyl)acetamide (PubChem CID 56882052) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(quinolin-5-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(quinolin-5-ylmethyl)acetamide
PubChem CID56882052
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(quinolin-5-ylmethyl)acetamide
SMILESCc1cn(CC(=O)N(C)Cc2cccc3ncccc23)c(=O)[nH]c1=O
InChIInChI=1S/C18H18N4O3/c1-12-9-22(18(25)20-17(12)24)11-16(23)21(2)10-13-5-3-7-15-14(13)6-4-8-19-15/h3-9H,10-11H2,1-2H3,(H,20,24,25)
InChIKeyZBZKSFCDADKEGF-UHFFFAOYSA-N
XLogP1.05
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(quinolin-5-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(quinolin-5-ylmethyl)acetamide (CID 56882052) is N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(quinolin-5-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(quinolin-5-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(quinolin-5-ylmethyl)acetamide is Cc1cn(CC(=O)N(C)Cc2cccc3ncccc23)c(=O)[nH]c1=O.
What is the InChIKey of N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(quinolin-5-ylmethyl)acetamide?
The InChIKey is ZBZKSFCDADKEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-9-22(18(25)20-17(12)24)11-16(23)21(2)10-13-5-3-7-15-14(13)6-4-8-19-15/h3-9H,10-11H2,1-2H3,(H,20,24,25).
What are the key properties of N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(quinolin-5-ylmethyl)acetamide?
N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(quinolin-5-ylmethyl)acetamide has a molecular weight of 338.37 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(quinolin-5-ylmethyl)acetamide is sourced from PubChem (CID 56882052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).