2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide

C17H16N4O3 — CID 56905403

IUPAC2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
SMILESCN(Cc1cccc2ncccc12)C(=O)Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C17H16N4O3/c1-21(15(22)8-12-9-19-17(24)20-16(12)23)10-11-4-2-6-14-13(11)5-3-7-18-14/h2-7,9H,8,10H2,1H3,(H2,19,20,23,24)
InChIKeyPECDVPXCJHREEI-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.81
Rot. Bonds4

About 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide

2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide (PubChem CID 56905403) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
PubChem CID56905403
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
SMILESCN(Cc1cccc2ncccc12)C(=O)Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C17H16N4O3/c1-21(15(22)8-12-9-19-17(24)20-16(12)23)10-11-4-2-6-14-13(11)5-3-7-18-14/h2-7,9H,8,10H2,1H3,(H2,19,20,23,24)
InChIKeyPECDVPXCJHREEI-UHFFFAOYSA-N
XLogP0.81
TPSA98.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 70744785
N-methyl-2-oxo-6-phenyl-N-(quinolin-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 56908393
N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide
CID 70751619
propan-2-yl N-methyl-N-(quinolin-5-ylmethyl)carbamate
CID 135388422
N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135690319
3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide
CID 70709829
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 97188254
N-methyl-5-pyridin-2-yl-N-(quinolin-5-ylmethyl)pyrazolidine-3-carboxamide
CID 75261619
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] quinoline-5-carboxylate
CID 55562613
5-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)-1H-indole-2-carboxamide
CID 46954671
5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]-1H-pyrimidine-2,4-dione
CID 12849824
3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)propanamide
CID 26349743

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide (CID 56905403) is 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide is CN(Cc1cccc2ncccc12)C(=O)Cc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide?
The InChIKey is PECDVPXCJHREEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-21(15(22)8-12-9-19-17(24)20-16(12)23)10-11-4-2-6-14-13(11)5-3-7-18-14/h2-7,9H,8,10H2,1H3,(H2,19,20,23,24).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide?
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide has a molecular weight of 324.34 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide is sourced from PubChem (CID 56905403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).