methyl 3-ethyl-2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylate

C11H11N3O4 — CID 168900268

IUPACmethyl 3-ethyl-2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylate
SMILESCCn1c(=O)[nH]c2cc(C(=O)OC)cnc2c1=O
InChIInChI=1S/C11H11N3O4/c1-3-14-9(15)8-7(13-11(14)17)4-6(5-12-8)10(16)18-2/h4-5H,3H2,1-2H3,(H,13,17)
InChIKeyWIHRPVYCDOIUEK-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.11
Rot. Bonds2

About methyl 3-ethyl-2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylate

methyl 3-ethyl-2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylate (PubChem CID 168900268) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is methyl 3-ethyl-2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylate
PubChem CID168900268
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Namemethyl 3-ethyl-2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylate
SMILESCCn1c(=O)[nH]c2cc(C(=O)OC)cnc2c1=O
InChIInChI=1S/C11H11N3O4/c1-3-14-9(15)8-7(13-11(14)17)4-6(5-12-8)10(16)18-2/h4-5H,3H2,1-2H3,(H,13,17)
InChIKeyWIHRPVYCDOIUEK-UHFFFAOYSA-N
XLogP-0.11
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-ethyl-2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
methyl 5-bromo-3-ethyl-2-oxo-4-sulfanylidene-1H-quinazoline-7-carboxylate
CID 170981660
methyl 7-(difluoromethyl)-8-methyl-6-oxo-5H-1,5-naphthyridine-3-carboxylate
CID 168856661
methyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
CID 123135144
methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
CID 53412446
methyl 11-[(3-methoxyphenyl)methyl]-13-oxo-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene-5-carboxylate
CID 136981378
1-pyrazin-2-ylethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 154749732
methyl 1H-imidazo[4,5-b]pyridine-6-carboxylate
CID 71433321
7-chloro-3-ethyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 168900207
methyl 7-(3,5-dimethyltriazol-4-yl)-9-fluoro-5H-pyrido[3,2-b]indole-3-carboxylate
CID 122688400
methyl 6-bromo-3-ethyl-2-oxo-4-sulfanylidene-1H-quinazoline-7-carboxylate
CID 170981602
3-ethyl-N'-(4-fluorobenzoyl)-2,4-dioxo-1H-quinazoline-7-carbohydrazide
CID 55810946

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylate?
The IUPAC name of methyl 3-ethyl-2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylate (CID 168900268) is methyl 3-ethyl-2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 3-ethyl-2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 3-ethyl-2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylate is CCn1c(=O)[nH]c2cc(C(=O)OC)cnc2c1=O.
What is the InChIKey of methyl 3-ethyl-2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylate?
The InChIKey is WIHRPVYCDOIUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-3-14-9(15)8-7(13-11(14)17)4-6(5-12-8)10(16)18-2/h4-5H,3H2,1-2H3,(H,13,17).
What are the key properties of methyl 3-ethyl-2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylate?
methyl 3-ethyl-2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylate has a molecular weight of 249.23 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 168900268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).