1-pyrazin-2-ylethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate

C17H16N4O4 — CID 154749732

IUPAC1-pyrazin-2-ylethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
SMILESCCn1c(=O)[nH]c2cc(C(=O)OC(C)c3cnccn3)ccc2c1=O
InChIInChI=1S/C17H16N4O4/c1-3-21-15(22)12-5-4-11(8-13(12)20-17(21)24)16(23)25-10(2)14-9-18-6-7-19-14/h4-10H,3H2,1-2H3,(H,20,24)
InChIKeyBEVPUCZBNWUYPY-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.42
Rot. Bonds4

About 1-pyrazin-2-ylethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate

1-pyrazin-2-ylethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate (PubChem CID 154749732) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 1-pyrazin-2-ylethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate.

Molecular Properties

Compound Name1-pyrazin-2-ylethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
PubChem CID154749732
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name1-pyrazin-2-ylethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
SMILESCCn1c(=O)[nH]c2cc(C(=O)OC(C)c3cnccn3)ccc2c1=O
InChIInChI=1S/C17H16N4O4/c1-3-21-15(22)12-5-4-11(8-13(12)20-17(21)24)16(23)25-10(2)14-9-18-6-7-19-14/h4-10H,3H2,1-2H3,(H,20,24)
InChIKeyBEVPUCZBNWUYPY-UHFFFAOYSA-N
XLogP1.42
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-pyrazin-2-ylethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate with MolForge

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Related Compounds

methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
2-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]-3-methylbutanoic acid
CID 119170339
3-ethyl-N-methyl-N-(3-methylbutyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 87016169
3-ethyl-7-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1H-quinazoline-2,4-dione
CID 55827425
3-ethyl-N'-(4-fluorobenzoyl)-2,4-dioxo-1H-quinazoline-7-carbohydrazide
CID 55810946
3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride
CID 120650490
N-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55849337
N-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811241
3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide
CID 94132682
3-ethyl-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione
CID 120729563
ethyl 2,4-dioxo-3-prop-2-enyl-1H-quinazoline-7-carboxylate
CID 53243737
3-ethyl-N-methyl-2,4-dioxo-N-(3-propan-2-ylphenyl)-1H-quinazoline-7-carboxamide
CID 47917494

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-ylethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate?
The IUPAC name of 1-pyrazin-2-ylethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate (CID 154749732) is 1-pyrazin-2-ylethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate.
What is the SMILES notation for 1-pyrazin-2-ylethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate?
The canonical SMILES for 1-pyrazin-2-ylethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate is CCn1c(=O)[nH]c2cc(C(=O)OC(C)c3cnccn3)ccc2c1=O.
What is the InChIKey of 1-pyrazin-2-ylethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate?
The InChIKey is BEVPUCZBNWUYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-3-21-15(22)12-5-4-11(8-13(12)20-17(21)24)16(23)25-10(2)14-9-18-6-7-19-14/h4-10H,3H2,1-2H3,(H,20,24).
What are the key properties of 1-pyrazin-2-ylethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate?
1-pyrazin-2-ylethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate has a molecular weight of 340.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-ylethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate is sourced from PubChem (CID 154749732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).