5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-ethylfuran-3-carboxylic acid

C15H15N3O4 — CID 120822578

IUPAC5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CCc3cncnc3C2)cc1C(=O)O
InChIInChI=1S/C15H15N3O4/c1-2-12-10(15(20)21)5-13(22-12)14(19)18-4-3-9-6-16-8-17-11(9)7-18/h5-6,8H,2-4,7H2,1H3,(H,20,21)
InChIKeyDGESUFMCVYCPRI-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.53
Rot. Bonds3

About 5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-ethylfuran-3-carboxylic acid

5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-ethylfuran-3-carboxylic acid (PubChem CID 120822578) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-ethylfuran-3-carboxylic acid
PubChem CID120822578
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CCc3cncnc3C2)cc1C(=O)O
InChIInChI=1S/C15H15N3O4/c1-2-12-10(15(20)21)5-13(22-12)14(19)18-4-3-9-6-16-8-17-11(9)7-18/h5-6,8H,2-4,7H2,1H3,(H,20,21)
InChIKeyDGESUFMCVYCPRI-UHFFFAOYSA-N
XLogP1.53
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-bromo-8-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822744
5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120820566
2-[4-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2,6-dimethylphenoxy]acetic acid
CID 120550011
2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid
CID 120822043
5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822361
1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 175795051
2-ethyl-5-(4-ethylazepane-1-carbonyl)furan-3-carboxylic acid
CID 120822394
2-ethyl-5-(7-methyl-2,3-dihydroindole-1-carbonyl)furan-3-carboxylic acid
CID 120822430
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone
CID 154742387
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylfuran-3-yl)methanone
CID 71805753
(2S)-8-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 97212972
5-[3-(butylcarbamoyl)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821560

Frequently Asked Questions

What is the IUPAC name of 5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-ethylfuran-3-carboxylic acid (CID 120822578) is 5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-ethylfuran-3-carboxylic acid is CCc1oc(C(=O)N2CCc3cncnc3C2)cc1C(=O)O.
What is the InChIKey of 5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-ethylfuran-3-carboxylic acid?
The InChIKey is DGESUFMCVYCPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-2-12-10(15(20)21)5-13(22-12)14(19)18-4-3-9-6-16-8-17-11(9)7-18/h5-6,8H,2-4,7H2,1H3,(H,20,21).
What are the key properties of 5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-ethylfuran-3-carboxylic acid?
5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-ethylfuran-3-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120822578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).