3-(furan-2-ylmethyl)-2-phenylquinazolin-4-one

C19H14N2O2 — CID 651002

IUPAC3-(furan-2-ylmethyl)-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1Cc1ccco1
InChIInChI=1S/C19H14N2O2/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/h1-12H,13H2
InChIKeyPTRVOUDFKYEIBH-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.70
Rot. Bonds3

About 3-(furan-2-ylmethyl)-2-phenylquinazolin-4-one

3-(furan-2-ylmethyl)-2-phenylquinazolin-4-one (PubChem CID 651002) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-phenylquinazolin-4-one
PubChem CID651002
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name3-(furan-2-ylmethyl)-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1Cc1ccco1
InChIInChI=1S/C19H14N2O2/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/h1-12H,13H2
InChIKeyPTRVOUDFKYEIBH-UHFFFAOYSA-N
XLogP3.70
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-phenylquinazolin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-phenylquinazolin-4-one (CID 651002) is 3-(furan-2-ylmethyl)-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-phenylquinazolin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-phenylquinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-phenylquinazolin-4-one?
The InChIKey is PTRVOUDFKYEIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/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/h1-12H,13H2.
What are the key properties of 3-(furan-2-ylmethyl)-2-phenylquinazolin-4-one?
3-(furan-2-ylmethyl)-2-phenylquinazolin-4-one has a molecular weight of 302.33 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-phenylquinazolin-4-one is sourced from PubChem (CID 651002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).