2-(1-ethoxyethenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C12H16N2O2 — CID 143679497

IUPAC2-(1-ethoxyethenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESC=C(OCC)c1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C12H16N2O2/c1-3-16-8(2)11-13-10-7-5-4-6-9(10)12(15)14-11/h2-7H2,1H3,(H,13,14,15)
InChIKeyRIXSJUNYLBTLTK-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.66
Rot. Bonds3

About 2-(1-ethoxyethenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-(1-ethoxyethenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 143679497) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(1-ethoxyethenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1-ethoxyethenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID143679497
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(1-ethoxyethenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESC=C(OCC)c1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C12H16N2O2/c1-3-16-8(2)11-13-10-7-5-4-6-9(10)12(15)14-11/h2-7H2,1H3,(H,13,14,15)
InChIKeyRIXSJUNYLBTLTK-UHFFFAOYSA-N
XLogP1.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(2,2,3,3-tetrafluoropropoxymethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136890415
2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136890416
ethyl 4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-2-carboxylate
CID 136014418
2-(1-Ethoxyethenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136470658
2-(1-hydroxyethenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136470665
2-(1-ethoxyethenyl)-5-methyl-5,6-dihydro-3H-quinazolin-4-one
CID 136619204
Ethane;2-(1-ethoxyethenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 143679727
4-(1-Ethoxyethenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),3-dien-6-one
CID 145472306
4-(1-Ethoxyethenyl)-3,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3-dien-6-one
CID 145472352
5-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one
CID 150994228
2-(Propoxymethyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135973727
2-(propoxymethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135973728

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(1-ethoxyethenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 143679497) is 2-(1-ethoxyethenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1-ethoxyethenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(1-ethoxyethenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is C=C(OCC)c1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of 2-(1-ethoxyethenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is RIXSJUNYLBTLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-16-8(2)11-13-10-7-5-4-6-9(10)12(15)14-11/h2-7H2,1H3,(H,13,14,15).
What are the key properties of 2-(1-ethoxyethenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(1-ethoxyethenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 220.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 143679497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).