2-(furan-2-yl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one

C16H18N2O3 — CID 54778713

IUPAC2-(furan-2-yl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCCN1C(=O)c2ccccc2NC1c1ccco1
InChIInChI=1S/C16H18N2O3/c1-20-10-5-9-18-15(14-8-4-11-21-14)17-13-7-3-2-6-12(13)16(18)19/h2-4,6-8,11,15,17H,5,9-10H2,1H3
InChIKeyQHESVCZNOCUZMH-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.88
Rot. Bonds5

About 2-(furan-2-yl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one

2-(furan-2-yl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54778713) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
PubChem CID54778713
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(furan-2-yl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCCN1C(=O)c2ccccc2NC1c1ccco1
InChIInChI=1S/C16H18N2O3/c1-20-10-5-9-18-15(14-8-4-11-21-14)17-13-7-3-2-6-12(13)16(18)19/h2-4,6-8,11,15,17H,5,9-10H2,1H3
InChIKeyQHESVCZNOCUZMH-UHFFFAOYSA-N
XLogP2.88
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(furan-2-yl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one (CID 54778713) is 2-(furan-2-yl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(furan-2-yl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(furan-2-yl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one is COCCCN1C(=O)c2ccccc2NC1c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is QHESVCZNOCUZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-10-5-9-18-15(14-8-4-11-21-14)17-13-7-3-2-6-12(13)16(18)19/h2-4,6-8,11,15,17H,5,9-10H2,1H3.
What are the key properties of 2-(furan-2-yl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one?
2-(furan-2-yl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 286.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).