2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(2-ethylquinolin-4-yl)acetamide

C17H18N4O3 — CID 122143050

IUPAC2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(2-ethylquinolin-4-yl)acetamide
SMILESCCc1cc(NC(=O)CN2CCC(=O)NC2=O)c2ccccc2n1
InChIInChI=1S/C17H18N4O3/c1-2-11-9-14(12-5-3-4-6-13(12)18-11)19-16(23)10-21-8-7-15(22)20-17(21)24/h3-6,9H,2,7-8,10H2,1H3,(H,18,19,23)(H,20,22,24)
InChIKeyHPIGHQGIWJFBKZ-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.68
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(2-ethylquinolin-4-yl)acetamide

2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(2-ethylquinolin-4-yl)acetamide (PubChem CID 122143050) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(2-ethylquinolin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(2-ethylquinolin-4-yl)acetamide
PubChem CID122143050
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(2-ethylquinolin-4-yl)acetamide
SMILESCCc1cc(NC(=O)CN2CCC(=O)NC2=O)c2ccccc2n1
InChIInChI=1S/C17H18N4O3/c1-2-11-9-14(12-5-3-4-6-13(12)18-11)19-16(23)10-21-8-7-15(22)20-17(21)24/h3-6,9H,2,7-8,10H2,1H3,(H,18,19,23)(H,20,22,24)
InChIKeyHPIGHQGIWJFBKZ-UHFFFAOYSA-N
XLogP1.68
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 75518287
N-(2-ethylquinolin-4-yl)-4-methyl-2-oxopiperidine-4-carboxamide
CID 136570287
2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]-N-ethylquinoline-4-carboxamide
CID 71908589
2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide
CID 75521076
N-(2-ethylquinolin-4-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide
CID 167767065
3-(cyclopropanecarbonylamino)-N-(2-ethylquinolin-4-yl)azetidine-1-carboxamide
CID 128543542
1-(2-ethylquinolin-4-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 124728310
1-(2-ethylquinolin-4-yl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea
CID 146109489
4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide
CID 133430578
2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide
CID 3619977
N-(2-methoxyphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 860126
2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol
CID 133402118

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(2-ethylquinolin-4-yl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(2-ethylquinolin-4-yl)acetamide (CID 122143050) is 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(2-ethylquinolin-4-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(2-ethylquinolin-4-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(2-ethylquinolin-4-yl)acetamide is CCc1cc(NC(=O)CN2CCC(=O)NC2=O)c2ccccc2n1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(2-ethylquinolin-4-yl)acetamide?
The InChIKey is HPIGHQGIWJFBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-2-11-9-14(12-5-3-4-6-13(12)18-11)19-16(23)10-21-8-7-15(22)20-17(21)24/h3-6,9H,2,7-8,10H2,1H3,(H,18,19,23)(H,20,22,24).
What are the key properties of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(2-ethylquinolin-4-yl)acetamide?
2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(2-ethylquinolin-4-yl)acetamide has a molecular weight of 326.36 g/mol, XLogP of 1.68, 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-1,3-diazinan-1-yl)-N-(2-ethylquinolin-4-yl)acetamide is sourced from PubChem (CID 122143050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).