2-(furan-2-yl)-3-(4-methoxyphenyl)quinazolin-4-one

C19H14N2O3 — CID 743606

IUPAC2-(furan-2-yl)-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C19H14N2O3/c1-23-14-10-8-13(9-11-14)21-18(17-7-4-12-24-17)20-16-6-3-2-5-15(16)19(21)22/h2-12H,1H3
InChIKeyIDFKAZZRWRKHIJ-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.65
Rot. Bonds3

About 2-(furan-2-yl)-3-(4-methoxyphenyl)quinazolin-4-one

2-(furan-2-yl)-3-(4-methoxyphenyl)quinazolin-4-one (PubChem CID 743606) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-(4-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-3-(4-methoxyphenyl)quinazolin-4-one
PubChem CID743606
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name2-(furan-2-yl)-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C19H14N2O3/c1-23-14-10-8-13(9-11-14)21-18(17-7-4-12-24-17)20-16-6-3-2-5-15(16)19(21)22/h2-12H,1H3
InChIKeyIDFKAZZRWRKHIJ-UHFFFAOYSA-N
XLogP3.65
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-(4-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-(furan-2-yl)-3-(4-methoxyphenyl)quinazolin-4-one (CID 743606) is 2-(furan-2-yl)-3-(4-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-(furan-2-yl)-3-(4-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-(furan-2-yl)-3-(4-methoxyphenyl)quinazolin-4-one is COc1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-(furan-2-yl)-3-(4-methoxyphenyl)quinazolin-4-one?
The InChIKey is IDFKAZZRWRKHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-23-14-10-8-13(9-11-14)21-18(17-7-4-12-24-17)20-16-6-3-2-5-15(16)19(21)22/h2-12H,1H3.
What are the key properties of 2-(furan-2-yl)-3-(4-methoxyphenyl)quinazolin-4-one?
2-(furan-2-yl)-3-(4-methoxyphenyl)quinazolin-4-one has a molecular weight of 318.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-(4-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 743606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).