ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate

C14H16N2O4 — CID 19087677

IUPACethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate
SMILESCCOC(=O)CCCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C14H16N2O4/c1-2-20-12(17)8-5-9-16-11-7-4-3-6-10(11)13(18)15-14(16)19/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,18,19)
InChIKeyMBGAYIWTUGLOEO-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.03
Rot. Bonds5

About ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate

ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate (PubChem CID 19087677) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate
PubChem CID19087677
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Nameethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate
SMILESCCOC(=O)CCCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C14H16N2O4/c1-2-20-12(17)8-5-9-16-11-7-4-3-6-10(11)13(18)15-14(16)19/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,18,19)
InChIKeyMBGAYIWTUGLOEO-UHFFFAOYSA-N
XLogP1.03
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
1-(5-chloropentyl)quinazoline-2,4-dione
CID 22449700
1-ethylquinazoline-2,4-dione
CID 825310
ethyl 6-[1-(4-bromobutyl)-2,4-dioxoquinazolin-3-yl]hexanoate
CID 22449662
2-(2,4-dioxoquinazolin-1-yl)acetamide
CID 155322960
3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide
CID 17452721
(4-iodophenyl) 3-(2,4-dioxoquinazolin-1-yl)propanoate
CID 47015427
4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N,N-diethylbutanamide
CID 60513440
1-[3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 136539345
ethyl 3-(2,4-dioxothieno[3,2-d]pyrimidin-1-yl)propanoate
CID 112750457
1-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 124589712
3-(2,4-dioxoquinazolin-1-yl)-N-heptan-2-ylpropanamide
CID 51339285

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate?
The IUPAC name of ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate (CID 19087677) is ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate.
What is the SMILES notation for ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate?
The canonical SMILES for ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate is CCOC(=O)CCCn1c(=O)[nH]c(=O)c2ccccc21.
What is the InChIKey of ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate?
The InChIKey is MBGAYIWTUGLOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-20-12(17)8-5-9-16-11-7-4-3-6-10(11)13(18)15-14(16)19/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,18,19).
What are the key properties of ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate?
ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate has a molecular weight of 276.29 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate is sourced from PubChem (CID 19087677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).