Isonicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester
Basic information
- CAS
50840-27-2- Standard SMILES
Cc1nc2ccccc2c(=O)n1CCOC(=O)c1ccncc1- InChIKey
UEZISRURWKIUEA-UHFFFAOYSA-N- Molecular formula
- C17H15N3O3
- Average molar mass
- 309.32 g/mol
- Monoisotopic mass
- 309.11134135
Names & identifiers
- Preferred name
- Isonicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester
- IUPAC
- 2-(2-methyl-4-oxoquinazolin-3-yl)ethyl pyridine-4-carboxylate
Names & synonyms
50840-27-2BRN 0823729ISONICOTINIC ACID, 2-(2-METHYL-4-OXO-3,4-DIHYDRO-3-QUINAZOLINYL)ETHYL ESTERDTXSID501988803-(2-Hydroxyethyl)-2-methyl-4(3H)-quinazolinone 4-pyridylformate4(3H)-Quinazolinone, 3-(2-hydroxyethyl)-2-methyl-, isonicotinateRefChem:349689DTXCID101213712-(2-METHYL-4-OXO-3,4-DIHYDRO-3-QUINAZOLINYL)ETHYLISONICOTINATE2-(2-methyl-4-oxoquinazolin-3(4H)-yl)ethyl pyridine-4-carboxylate2-(2-methyl-4-oxoquinazolin-3-yl)ethyl pyridine-4-carboxylate2-(2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl isonicotinate
Show more names
STK913647AKOS005642613AO-365/434748052-(2-methyl-4-oxoquinazolin-3(4H)-yl)ethyl isonicotinate
Database identifiers
- CAS
50840-27-2- PubChem CID
- 39829
- DTXSID
DTXSID50198880- Nikkaji
- J68.808H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 485
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Compound notes
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