2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one

C13H12N2O2 — CID 47117581

IUPAC2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one
SMILESCN1C(=O)c2ccccc2NC1c1ccco1
InChIInChI=1S/C13H12N2O2/c1-15-12(11-7-4-8-17-11)14-10-6-3-2-5-9(10)13(15)16/h2-8,12,14H,1H3
InChIKeyWDJWOZQKYFGJGA-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.48
Rot. Bonds1

About 2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one

2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one (PubChem CID 47117581) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one
PubChem CID47117581
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one
SMILESCN1C(=O)c2ccccc2NC1c1ccco1
InChIInChI=1S/C13H12N2O2/c1-15-12(11-7-4-8-17-11)14-10-6-3-2-5-9(10)13(15)16/h2-8,12,14H,1H3
InChIKeyWDJWOZQKYFGJGA-UHFFFAOYSA-N
XLogP2.48
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one (CID 47117581) is 2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one is CN1C(=O)c2ccccc2NC1c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one?
The InChIKey is WDJWOZQKYFGJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-15-12(11-7-4-8-17-11)14-10-6-3-2-5-9(10)13(15)16/h2-8,12,14H,1H3.
What are the key properties of 2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one?
2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one has a molecular weight of 228.25 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 47117581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).