2-(2,3-dihydro-1-benzofuran-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

C15H15N3O2 — CID 136941592

IUPAC2-(2,3-dihydro-1-benzofuran-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2COc3ccccc32)nc2c1CCNC2
InChIInChI=1S/C15H15N3O2/c19-15-10-5-6-16-7-12(10)17-14(18-15)11-8-20-13-4-2-1-3-9(11)13/h1-4,11,16H,5-8H2,(H,17,18,19)
InChIKeyGJNRMBMLIZYWBR-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.94
Rot. Bonds1

About 2-(2,3-dihydro-1-benzofuran-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

2-(2,3-dihydro-1-benzofuran-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136941592) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136941592
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2COc3ccccc32)nc2c1CCNC2
InChIInChI=1S/C15H15N3O2/c19-15-10-5-6-16-7-12(10)17-14(18-15)11-8-20-13-4-2-1-3-9(11)13/h1-4,11,16H,5-8H2,(H,17,18,19)
InChIKeyGJNRMBMLIZYWBR-UHFFFAOYSA-N
XLogP0.94
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1-benzofuran-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

2-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941472
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136992302
2-(4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941583
2-(2-chloroanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136965778
2-(2,3-dihydro-1-benzofuran-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820809
2-(2,3-dihydro-1-benzofuran-3-yl)-4,5-difluoro-1H-benzimidazole
CID 115911961
2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941659
2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941469
2-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135741595
2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 65407342
1-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858927
2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941632

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136941592) is 2-(2,3-dihydro-1-benzofuran-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(C2COc3ccccc32)nc2c1CCNC2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is GJNRMBMLIZYWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-15-10-5-6-16-7-12(10)17-14(18-15)11-8-20-13-4-2-1-3-9(11)13/h1-4,11,16H,5-8H2,(H,17,18,19).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
2-(2,3-dihydro-1-benzofuran-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 269.30 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).