ethyl 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoate

C13H18N2O4 — CID 58720715

IUPACethyl 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoate
SMILESCCOC(=O)CCn1c2c(c(=O)[nH]c1=O)CCCC2
InChIInChI=1S/C13H18N2O4/c1-2-19-11(16)7-8-15-10-6-4-3-5-9(10)12(17)14-13(15)18/h2-8H2,1H3,(H,14,17,18)
InChIKeyLRBKNHBIZBJICB-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.37
Rot. Bonds4

About ethyl 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoate

ethyl 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoate (PubChem CID 58720715) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoate
PubChem CID58720715
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoate
SMILESCCOC(=O)CCn1c2c(c(=O)[nH]c1=O)CCCC2
InChIInChI=1S/C13H18N2O4/c1-2-19-11(16)7-8-15-10-6-4-3-5-9(10)12(17)14-13(15)18/h2-8H2,1H3,(H,14,17,18)
InChIKeyLRBKNHBIZBJICB-UHFFFAOYSA-N
XLogP0.37
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Hydroxypropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 12514470
3-(2,4-Dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoic acid
CID 11368400
3-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
CID 21531042
ethyl 3-(2,4-dioxo-3,4,5,6,7,8-hexahydro-1(2H)-quinazolinyl)-propanecarboxylate
CID 21916433
3-(2,4-dioxo-3,4,5,6,7,8-hexahydro-1(2H)-quinazolinyl)-propanecarboxylic acid
CID 21916435
3-(3-Methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanal
CID 57927612
1-(3,3-Dimethoxypropyl)-3-methyl-5,6,7,8-tetrahydro-1h-quinazoline-2,4-dione
CID 57927656
carbonic acid;3-propyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
CID 69961417
1-Hexyl-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 89545637
1-Propyl-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 91114198
2-[(2,4-Dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)methoxy]ethyl acetate
CID 10401498
1-(3-Azidopropoxymethyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 10468820

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoate?
The IUPAC name of ethyl 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoate (CID 58720715) is ethyl 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoate is CCOC(=O)CCn1c2c(c(=O)[nH]c1=O)CCCC2.
What is the InChIKey of ethyl 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoate?
The InChIKey is LRBKNHBIZBJICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-19-11(16)7-8-15-10-6-4-3-5-9(10)12(17)14-13(15)18/h2-8H2,1H3,(H,14,17,18).
What are the key properties of ethyl 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoate?
ethyl 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoate has a molecular weight of 266.30 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoate is sourced from PubChem (CID 58720715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).