2-(1-ethoxyethenyl)-3-methylquinazolin-4-one

C13H14N2O2 — CID 70298054

IUPAC2-(1-ethoxyethenyl)-3-methylquinazolin-4-one
SMILESC=C(OCC)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C13H14N2O2/c1-4-17-9(2)12-14-11-8-6-5-7-10(11)13(16)15(12)3/h5-8H,2,4H2,1,3H3
InChIKeyJPDZYQQSDMSEID-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.94
Rot. Bonds3

About 2-(1-ethoxyethenyl)-3-methylquinazolin-4-one

2-(1-ethoxyethenyl)-3-methylquinazolin-4-one (PubChem CID 70298054) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(1-ethoxyethenyl)-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-(1-ethoxyethenyl)-3-methylquinazolin-4-one
PubChem CID70298054
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(1-ethoxyethenyl)-3-methylquinazolin-4-one
SMILESC=C(OCC)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C13H14N2O2/c1-4-17-9(2)12-14-11-8-6-5-7-10(11)13(16)15(12)3/h5-8H,2,4H2,1,3H3
InChIKeyJPDZYQQSDMSEID-UHFFFAOYSA-N
XLogP1.94
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-benzyl-4-oxoquinazoline-2-carboxylate
CID 53277831
N-(2-hydroxyethyl)-3-methyl-4-oxoquinazoline-2-carboxamide
CID 39377679
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
3-methyl-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
CID 2980541
ethyl 3-(acetyloxyamino)-4-oxoquinazoline-2-carboxylate
CID 10613514
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride
CID 75537334
ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate
CID 13409713
3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
CID 39046968
2-(bromomethyl)-3-methylquinazolin-4-one
CID 15707759
(3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate
CID 71362008
2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid
CID 61394536

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethenyl)-3-methylquinazolin-4-one?
The IUPAC name of 2-(1-ethoxyethenyl)-3-methylquinazolin-4-one (CID 70298054) is 2-(1-ethoxyethenyl)-3-methylquinazolin-4-one.
What is the SMILES notation for 2-(1-ethoxyethenyl)-3-methylquinazolin-4-one?
The canonical SMILES for 2-(1-ethoxyethenyl)-3-methylquinazolin-4-one is C=C(OCC)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of 2-(1-ethoxyethenyl)-3-methylquinazolin-4-one?
The InChIKey is JPDZYQQSDMSEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-4-17-9(2)12-14-11-8-6-5-7-10(11)13(16)15(12)3/h5-8H,2,4H2,1,3H3.
What are the key properties of 2-(1-ethoxyethenyl)-3-methylquinazolin-4-one?
2-(1-ethoxyethenyl)-3-methylquinazolin-4-one has a molecular weight of 230.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethenyl)-3-methylquinazolin-4-one is sourced from PubChem (CID 70298054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).