2-(diethylamino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one

C16H19N3O2 — CID 3838311

IUPAC2-(diethylamino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCN(CC)c1ncc2c(n1)CC(c1ccco1)CC2=O
InChIInChI=1S/C16H19N3O2/c1-3-19(4-2)16-17-10-12-13(18-16)8-11(9-14(12)20)15-6-5-7-21-15/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyYZWFDTXDKKKSBF-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.83
Rot. Bonds4

About 2-(diethylamino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one

2-(diethylamino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 3838311) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(diethylamino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(diethylamino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID3838311
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(diethylamino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCN(CC)c1ncc2c(n1)CC(c1ccco1)CC2=O
InChIInChI=1S/C16H19N3O2/c1-3-19(4-2)16-17-10-12-13(18-16)8-11(9-14(12)20)15-6-5-7-21-15/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyYZWFDTXDKKKSBF-UHFFFAOYSA-N
XLogP2.83
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(diethylamino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 3838311) is 2-(diethylamino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(diethylamino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(diethylamino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is CCN(CC)c1ncc2c(n1)CC(c1ccco1)CC2=O.
What is the InChIKey of 2-(diethylamino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is YZWFDTXDKKKSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-19(4-2)16-17-10-12-13(18-16)8-11(9-14(12)20)15-6-5-7-21-15/h5-7,10-11H,3-4,8-9H2,1-2H3.
What are the key properties of 2-(diethylamino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
2-(diethylamino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 285.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 3838311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).