2-Ethyl-3-isopropylquinazolin-4(3H)-one

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Basic information

CAS: 49739-17-5
Standard SMILES: CCc1nc2ccccc2c(=O)n1C(C)C
InChIKey: LLTACGVUKRPIFV-UHFFFAOYSA-N
Molecular formula: C13H16N2O
Average molar mass: 216.28 g/mol
Monoisotopic mass: 216.12626314

Names & identifiers

Preferred name: 2-Ethyl-3-isopropylquinazolin-4(3H)-one
IUPAC: 2-ethyl-3-propan-2-ylquinazolin-4-one
English name: 2-ethyl-3-propan-2-yl-quinazolin-4-one
Molecular formula: C13H16N2O
Molecular weight: 216.28

Names & synonyms

49739-17-52-Ethyl-3-isopropylquinazolin-4(3H)-one2-ethyl-3-(propan-2-yl)-3,4-dihydroquinazolin-4-oneNSC3198652-ETHYL-3-PROPAN-2-YL-QUINAZOLIN-4-ONEDTXSID60317702NSC-3198652-Ethyl-3-(propan-2-yl)quinazolin-4(3H)-one4(3H)-Quinazolinone, 2-ethyl-3-(1-methylethyl)-

Database identifiers

CAS: 49739-17-5
PubChem CID: 330666
DTXSID: DTXSID60317702

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 309

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Compound notes

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