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

C16H16N2O3 — CID 2268672

IUPAC2-(furan-2-yl)-3-(3-methoxypropyl)quinazolin-4-one
SMILESCOCCCn1c(-c2ccco2)nc2ccccc2c1=O
InChIInChI=1S/C16H16N2O3/c1-20-10-5-9-18-15(14-8-4-11-21-14)17-13-7-3-2-6-12(13)16(18)19/h2-4,6-8,11H,5,9-10H2,1H3
InChIKeyOEVFLYRINONDDI-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.69
Rot. Bonds5

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

2-(furan-2-yl)-3-(3-methoxypropyl)quinazolin-4-one (PubChem CID 2268672) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-(3-methoxypropyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-3-(3-methoxypropyl)quinazolin-4-one
PubChem CID2268672
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-(furan-2-yl)-3-(3-methoxypropyl)quinazolin-4-one
SMILESCOCCCn1c(-c2ccco2)nc2ccccc2c1=O
InChIInChI=1S/C16H16N2O3/c1-20-10-5-9-18-15(14-8-4-11-21-14)17-13-7-3-2-6-12(13)16(18)19/h2-4,6-8,11H,5,9-10H2,1H3
InChIKeyOEVFLYRINONDDI-UHFFFAOYSA-N
XLogP2.69
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(furan-2-yl)-3-(3-methoxypropyl)quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-(3-methoxypropyl)quinazolin-4-one?
The IUPAC name of 2-(furan-2-yl)-3-(3-methoxypropyl)quinazolin-4-one (CID 2268672) is 2-(furan-2-yl)-3-(3-methoxypropyl)quinazolin-4-one.
What is the SMILES notation for 2-(furan-2-yl)-3-(3-methoxypropyl)quinazolin-4-one?
The canonical SMILES for 2-(furan-2-yl)-3-(3-methoxypropyl)quinazolin-4-one is COCCCn1c(-c2ccco2)nc2ccccc2c1=O.
What is the InChIKey of 2-(furan-2-yl)-3-(3-methoxypropyl)quinazolin-4-one?
The InChIKey is OEVFLYRINONDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-20-10-5-9-18-15(14-8-4-11-21-14)17-13-7-3-2-6-12(13)16(18)19/h2-4,6-8,11H,5,9-10H2,1H3.
What are the key properties of 2-(furan-2-yl)-3-(3-methoxypropyl)quinazolin-4-one?
2-(furan-2-yl)-3-(3-methoxypropyl)quinazolin-4-one has a molecular weight of 284.31 g/mol, XLogP of 2.69, 5 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-methoxypropyl)quinazolin-4-one is sourced from PubChem (CID 2268672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).