2-(3-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

C17H12N2O2 — CID 137178547

IUPAC2-(3-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCc1cccc(-c2nc3c(oc4ccccc43)c(=O)[nH]2)c1
InChIInChI=1S/C17H12N2O2/c1-10-5-4-6-11(9-10)16-18-14-12-7-2-3-8-13(12)21-15(14)17(20)19-16/h2-9H,1H3,(H,18,19,20)
InChIKeyDDGGFIXDHOHGCQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.64
Rot. Bonds1

About 2-(3-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

2-(3-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 137178547) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID137178547
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name2-(3-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCc1cccc(-c2nc3c(oc4ccccc43)c(=O)[nH]2)c1
InChIInChI=1S/C17H12N2O2/c1-10-5-4-6-11(9-10)16-18-14-12-7-2-3-8-13(12)21-15(14)17(20)19-16/h2-9H,1H3,(H,18,19,20)
InChIKeyDDGGFIXDHOHGCQ-UHFFFAOYSA-N
XLogP3.64
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-amino-2-(3-methylphenyl)-3H-pyrido[3,4-d]pyrimidin-4-one
CID 155363926
8-bromo-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane
CID 143831080
actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one
CID 135999600
3-(8-bromo-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-N-(2-methylpropyl)benzamide
CID 135867992
8-bromo-2-(4-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867950
8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867999
8-bromo-2-[3-[2-(cyclohexylamino)propan-2-yl]phenyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 143831091
2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135735087
8-methyl-2-(phenoxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 136629673
8-bromo-2-(2-iodophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867908
8-bromo-2-(2-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135566645
2-(2-chlorophenyl)-8-hydroxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867966

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(3-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 137178547) is 2-(3-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is Cc1cccc(-c2nc3c(oc4ccccc43)c(=O)[nH]2)c1.
What is the InChIKey of 2-(3-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is DDGGFIXDHOHGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-10-5-4-6-11(9-10)16-18-14-12-7-2-3-8-13(12)21-15(14)17(20)19-16/h2-9H,1H3,(H,18,19,20).
What are the key properties of 2-(3-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
2-(3-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 276.30 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137178547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).