2-(1-ethoxyethyl)-7,8-dihydro-6H-quinazolin-5-one

C12H16N2O2 — CID 64533619

IUPAC2-(1-ethoxyethyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCOC(C)c1ncc2c(n1)CCCC2=O
InChIInChI=1S/C12H16N2O2/c1-3-16-8(2)12-13-7-9-10(14-12)5-4-6-11(9)15/h7-8H,3-6H2,1-2H3
InChIKeyWYDLSXKGZUDDRA-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.09
Rot. Bonds3

About 2-(1-ethoxyethyl)-7,8-dihydro-6H-quinazolin-5-one

2-(1-ethoxyethyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 64533619) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID64533619
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(1-ethoxyethyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCOC(C)c1ncc2c(n1)CCCC2=O
InChIInChI=1S/C12H16N2O2/c1-3-16-8(2)12-13-7-9-10(14-12)5-4-6-11(9)15/h7-8H,3-6H2,1-2H3
InChIKeyWYDLSXKGZUDDRA-UHFFFAOYSA-N
XLogP2.09
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(1-ethoxyethyl)-7,8-dihydro-6H-quinazolin-5-one (CID 64533619) is 2-(1-ethoxyethyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(1-ethoxyethyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(1-ethoxyethyl)-7,8-dihydro-6H-quinazolin-5-one is CCOC(C)c1ncc2c(n1)CCCC2=O.
What is the InChIKey of 2-(1-ethoxyethyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is WYDLSXKGZUDDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-16-8(2)12-13-7-9-10(14-12)5-4-6-11(9)15/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(1-ethoxyethyl)-7,8-dihydro-6H-quinazolin-5-one?
2-(1-ethoxyethyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 220.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 64533619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).