3-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-one

C18H13N3O2 — CID 71368139

IUPAC3-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2cccnc2)n1Cc1ccco1
InChIInChI=1S/C18H13N3O2/c22-18-15-7-1-2-8-16(15)20-17(13-5-3-9-19-11-13)21(18)12-14-6-4-10-23-14/h1-11H,12H2
InChIKeyGSNXTVWDWVWJQM-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.10
Rot. Bonds3

About 3-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-one

3-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-one (PubChem CID 71368139) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-one
PubChem CID71368139
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name3-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2cccnc2)n1Cc1ccco1
InChIInChI=1S/C18H13N3O2/c22-18-15-7-1-2-8-16(15)20-17(13-5-3-9-19-11-13)21(18)12-14-6-4-10-23-14/h1-11H,12H2
InChIKeyGSNXTVWDWVWJQM-UHFFFAOYSA-N
XLogP3.10
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-one (CID 71368139) is 3-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-one is O=c1c2ccccc2nc(-c2cccnc2)n1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-one?
The InChIKey is GSNXTVWDWVWJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-18-15-7-1-2-8-16(15)20-17(13-5-3-9-19-11-13)21(18)12-14-6-4-10-23-14/h1-11H,12H2.
What are the key properties of 3-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-one?
3-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-one has a molecular weight of 303.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-one is sourced from PubChem (CID 71368139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).