Nicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester
Basic information
- CAS
50840-28-3- Standard SMILES
Cc1nc2ccccc2c(=O)n1CCOC(=O)c1cccnc1- InChIKey
MTZBXYYMEHRFCZ-UHFFFAOYSA-N- Molecular formula
- C17H15N3O3
- Average molar mass
- 309.32 g/mol
- Monoisotopic mass
- 309.11134135
Names & identifiers
- Preferred name
- Nicotinic acid, 2-(2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)ethyl ester
- IUPAC
- 2-(2-methyl-4-oxoquinazolin-3-yl)ethyl pyridine-3-carboxylate
Names & synonyms
50840-28-3BRN 0823730NICOTINIC ACID, 2-(2-METHYL-4-OXO-3,4-DIHYDRO-3-QUINAZOLINYL)ETHYL ESTER4(3H)-Quinazolinone, 3-(2-hydroxyethyl)-2-methyl-, nicotinateDTXSID101988813-(2-Hydroxyethyl)-2-methyl-4(3H)-quinazolinone 3-pyridylformateRefChem:365627DTXCID701213722-(2-METHYL-4-OXO-3,4-DIHYDRO-3-QUINAZOLINYL)ETHYL NICOTINATE2-(2-methyl-4-oxoquinazolin-3(4H)-yl)ethyl nicotinate2-(2-methyl-4-oxoquinazolin-3(4H)-yl)ethyl pyridine-3-carboxylate2-(2-methyl-4-oxoquinazolin-3-yl)ethyl pyridine-3-carboxylate
Show more names
2-(2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl nicotinateSTL300254AKOS022104017AO-365/43474804
Database identifiers
- CAS
50840-28-3- PubChem CID
- 39830
- DTXSID
DTXSID10198881
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
- 491
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Compound notes
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