2-(furan-2-yl)-3-(3-methyl-2-pyridinyl)quinazolin-4-one

C18H13N3O2 — CID 829489

IUPAC2-(furan-2-yl)-3-(3-methyl-2-pyridinyl)quinazolin-4-one
SMILESCc1cccnc1-n1c(-c2ccco2)nc2ccccc2c1=O
InChIInChI=1S/C18H13N3O2/c1-12-6-4-10-19-16(12)21-17(15-9-5-11-23-15)20-14-8-3-2-7-13(14)18(21)22/h2-11H,1H3
InChIKeyZEBALCRPZGATMD-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.35
Rot. Bonds2

About 2-(furan-2-yl)-3-(3-methyl-2-pyridinyl)quinazolin-4-one

2-(furan-2-yl)-3-(3-methyl-2-pyridinyl)quinazolin-4-one (PubChem CID 829489) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-(3-methyl-2-pyridinyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-3-(3-methyl-2-pyridinyl)quinazolin-4-one
PubChem CID829489
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name2-(furan-2-yl)-3-(3-methyl-2-pyridinyl)quinazolin-4-one
SMILESCc1cccnc1-n1c(-c2ccco2)nc2ccccc2c1=O
InChIInChI=1S/C18H13N3O2/c1-12-6-4-10-19-16(12)21-17(15-9-5-11-23-15)20-14-8-3-2-7-13(14)18(21)22/h2-11H,1H3
InChIKeyZEBALCRPZGATMD-UHFFFAOYSA-N
XLogP3.35
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.35
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-(3-methyl-2-pyridinyl)quinazolin-4-one?
The IUPAC name of 2-(furan-2-yl)-3-(3-methyl-2-pyridinyl)quinazolin-4-one (CID 829489) is 2-(furan-2-yl)-3-(3-methyl-2-pyridinyl)quinazolin-4-one.
What is the SMILES notation for 2-(furan-2-yl)-3-(3-methyl-2-pyridinyl)quinazolin-4-one?
The canonical SMILES for 2-(furan-2-yl)-3-(3-methyl-2-pyridinyl)quinazolin-4-one is Cc1cccnc1-n1c(-c2ccco2)nc2ccccc2c1=O.
What is the InChIKey of 2-(furan-2-yl)-3-(3-methyl-2-pyridinyl)quinazolin-4-one?
The InChIKey is ZEBALCRPZGATMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-12-6-4-10-19-16(12)21-17(15-9-5-11-23-15)20-14-8-3-2-7-13(14)18(21)22/h2-11H,1H3.
What are the key properties of 2-(furan-2-yl)-3-(3-methyl-2-pyridinyl)quinazolin-4-one?
2-(furan-2-yl)-3-(3-methyl-2-pyridinyl)quinazolin-4-one has a molecular weight of 303.32 g/mol, XLogP of 3.35, 2 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-(3-methyl-2-pyridinyl)quinazolin-4-one is sourced from PubChem (CID 829489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).