3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one

C16H17N3O2 — CID 62563208

IUPAC3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one
SMILESCC(NCCn1cnc2ccccc2c1=O)c1ccco1
InChIInChI=1S/C16H17N3O2/c1-12(15-7-4-10-21-15)17-8-9-19-11-18-14-6-3-2-5-13(14)16(19)20/h2-7,10-12,17H,8-9H2,1H3
InChIKeyXJUFIXXVFSYOBX-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.34
Rot. Bonds5

About 3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one

3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one (PubChem CID 62563208) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one
PubChem CID62563208
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one
SMILESCC(NCCn1cnc2ccccc2c1=O)c1ccco1
InChIInChI=1S/C16H17N3O2/c1-12(15-7-4-10-21-15)17-8-9-19-11-18-14-6-3-2-5-13(14)16(19)20/h2-7,10-12,17H,8-9H2,1H3
InChIKeyXJUFIXXVFSYOBX-UHFFFAOYSA-N
XLogP2.34
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one
CID 3026522
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 62565271
3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one
CID 62563376
3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one
CID 3026481
3-[2-(propylamino)ethyl]quinazolin-4-one
CID 54589512
3-propylquinazolin-4-one
CID 529124
3-[2-(butylamino)ethyl]quinazolin-4-one
CID 62562678
3-[2-(3,3-dimethylbutylamino)ethyl]quinazolin-4-one
CID 62562143
3-[2-(4-methylanilino)ethyl]quinazolin-4-one
CID 5148313
N-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 51202356
3-[2-(2-methylsulfonylethylamino)ethyl]quinazolin-4-one
CID 62562144
3-[3-(3-phenylpropylamino)butyl]quinazolin-4-one
CID 136821785

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one (CID 62563208) is 3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one is CC(NCCn1cnc2ccccc2c1=O)c1ccco1.
What is the InChIKey of 3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one?
The InChIKey is XJUFIXXVFSYOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12(15-7-4-10-21-15)17-8-9-19-11-18-14-6-3-2-5-13(14)16(19)20/h2-7,10-12,17H,8-9H2,1H3.
What are the key properties of 3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one?
3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one has a molecular weight of 283.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one is sourced from PubChem (CID 62563208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).