2-ethyl-3-prop-2-enylquinazolin-4-one

C13H14N2O — CID 154543894

IUPAC2-ethyl-3-prop-2-enylquinazolin-4-one
SMILESC=CCn1c(CC)nc2ccccc2c1=O
InChIInChI=1S/C13H14N2O/c1-3-9-15-12(4-2)14-11-8-6-5-7-10(11)13(15)16/h3,5-8H,1,4,9H2,2H3
InChIKeyGJVBJEHHOGUIKN-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.14
Rot. Bonds3

About 2-ethyl-3-prop-2-enylquinazolin-4-one

2-ethyl-3-prop-2-enylquinazolin-4-one (PubChem CID 154543894) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-ethyl-3-prop-2-enylquinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-3-prop-2-enylquinazolin-4-one
PubChem CID154543894
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-ethyl-3-prop-2-enylquinazolin-4-one
SMILESC=CCn1c(CC)nc2ccccc2c1=O
InChIInChI=1S/C13H14N2O/c1-3-9-15-12(4-2)14-11-8-6-5-7-10(11)13(15)16/h3,5-8H,1,4,9H2,2H3
InChIKeyGJVBJEHHOGUIKN-UHFFFAOYSA-N
XLogP2.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one
CID 124927087
2-ethyl-3-pentylquinazolin-4-one
CID 529110
3-(3-chloropropyl)-2-ethylquinazolin-4-one
CID 59723865
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
2-ethyl-3-phenylquinazolin-4-one
CID 719985
3-(dimethylamino)-2-ethylquinazolin-4-one
CID 10680290
2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetate
CID 6943444
2-(3-hydroxy-3-methylbutyl)sulfanyl-3-prop-2-enylquinazolin-4-one
CID 111537026
2-[(4-phenylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one
CID 16537910
N-(4-acetylphenyl)-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 859989
3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate
CID 59723876
N-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 45030782

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-prop-2-enylquinazolin-4-one?
The IUPAC name of 2-ethyl-3-prop-2-enylquinazolin-4-one (CID 154543894) is 2-ethyl-3-prop-2-enylquinazolin-4-one.
What is the SMILES notation for 2-ethyl-3-prop-2-enylquinazolin-4-one?
The canonical SMILES for 2-ethyl-3-prop-2-enylquinazolin-4-one is C=CCn1c(CC)nc2ccccc2c1=O.
What is the InChIKey of 2-ethyl-3-prop-2-enylquinazolin-4-one?
The InChIKey is GJVBJEHHOGUIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-3-9-15-12(4-2)14-11-8-6-5-7-10(11)13(15)16/h3,5-8H,1,4,9H2,2H3.
What are the key properties of 2-ethyl-3-prop-2-enylquinazolin-4-one?
2-ethyl-3-prop-2-enylquinazolin-4-one has a molecular weight of 214.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-prop-2-enylquinazolin-4-one is sourced from PubChem (CID 154543894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).