3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide

C18H18N4O3 — CID 56885987

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide
SMILESCN(Cc1cccc2ncccc12)C(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C18H18N4O3/c1-21(12-13-4-2-6-15-14(13)5-3-9-19-15)17(24)8-11-22-10-7-16(23)20-18(22)25/h2-7,9-10H,8,11-12H2,1H3,(H,20,23,25)
InChIKeyWWGLCBVDBCRRMP-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.13
Rot. Bonds5

About 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide (PubChem CID 56885987) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide
PubChem CID56885987
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide
SMILESCN(Cc1cccc2ncccc12)C(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C18H18N4O3/c1-21(12-13-4-2-6-15-14(13)5-3-9-19-15)17(24)8-11-22-10-7-16(23)20-18(22)25/h2-7,9-10H,8,11-12H2,1H3,(H,20,23,25)
InChIKeyWWGLCBVDBCRRMP-UHFFFAOYSA-N
XLogP1.13
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide (CID 56885987) is 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide is CN(Cc1cccc2ncccc12)C(=O)CCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide?
The InChIKey is WWGLCBVDBCRRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-21(12-13-4-2-6-15-14(13)5-3-9-19-15)17(24)8-11-22-10-7-16(23)20-18(22)25/h2-7,9-10H,8,11-12H2,1H3,(H,20,23,25).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide has a molecular weight of 338.37 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide is sourced from PubChem (CID 56885987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).