3-(furan-2-ylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one

C19H16N2O2 — CID 2928530

IUPAC3-(furan-2-ylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccc2)N1Cc1ccco1
InChIInChI=1S/C19H16N2O2/c22-19-16-10-4-5-11-17(16)20-18(14-7-2-1-3-8-14)21(19)13-15-9-6-12-23-15/h1-12,18,20H,13H2
InChIKeyYPIADJABWAASFX-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.05
Rot. Bonds3

About 3-(furan-2-ylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one

3-(furan-2-ylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 2928530) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID2928530
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name3-(furan-2-ylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccc2)N1Cc1ccco1
InChIInChI=1S/C19H16N2O2/c22-19-16-10-4-5-11-17(16)20-18(14-7-2-1-3-8-14)21(19)13-15-9-6-12-23-15/h1-12,18,20H,13H2
InChIKeyYPIADJABWAASFX-UHFFFAOYSA-N
XLogP4.05
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one (CID 2928530) is 3-(furan-2-ylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccccc2)N1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is YPIADJABWAASFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-19-16-10-4-5-11-17(16)20-18(14-7-2-1-3-8-14)21(19)13-15-9-6-12-23-15/h1-12,18,20H,13H2.
What are the key properties of 3-(furan-2-ylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one?
3-(furan-2-ylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 304.35 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2928530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).