2-(2-ethylpiperidin-1-yl)-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one

C20H25N3O2 — CID 16652999

IUPAC2-(2-ethylpiperidin-1-yl)-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCCC1CCCCN1c1nc(C)c2c(n1)CC(c1ccco1)CC2=O
InChIInChI=1S/C20H25N3O2/c1-3-15-7-4-5-9-23(15)20-21-13(2)19-16(22-20)11-14(12-17(19)24)18-8-6-10-25-18/h6,8,10,14-15H,3-5,7,9,11-12H2,1-2H3
InChIKeyOVIRSBSCAZKDNJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.06
Rot. Bonds3

About 2-(2-ethylpiperidin-1-yl)-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one

2-(2-ethylpiperidin-1-yl)-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 16652999) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID16652999
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(2-ethylpiperidin-1-yl)-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCCC1CCCCN1c1nc(C)c2c(n1)CC(c1ccco1)CC2=O
InChIInChI=1S/C20H25N3O2/c1-3-15-7-4-5-9-23(15)20-21-13(2)19-16(22-20)11-14(12-17(19)24)18-8-6-10-25-18/h6,8,10,14-15H,3-5,7,9,11-12H2,1-2H3
InChIKeyOVIRSBSCAZKDNJ-UHFFFAOYSA-N
XLogP4.06
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 16652999) is 2-(2-ethylpiperidin-1-yl)-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one is CCC1CCCCN1c1nc(C)c2c(n1)CC(c1ccco1)CC2=O.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is OVIRSBSCAZKDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-15-7-4-5-9-23(15)20-21-13(2)19-16(22-20)11-14(12-17(19)24)18-8-6-10-25-18/h6,8,10,14-15H,3-5,7,9,11-12H2,1-2H3.
What are the key properties of 2-(2-ethylpiperidin-1-yl)-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-(2-ethylpiperidin-1-yl)-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 339.44 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 16652999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).