Basic information
- CAS
376382-42-2- Standard SMILES
COC(=O)c1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)cc1- InChIKey
BASZDTQMIDQKEX-UHFFFAOYSA-N- Molecular formula
- C21H18N2O5
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.12157168
Names & identifiers
- Preferred name
- Methyl 4-{[(7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-IJ]quinolin-6-YL)carbonyl]amino}benzoate
- IUPAC
- methyl 4-[(4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carbonyl)amino]benzoate
- English name
- methyl 4-(1-hydroxy-3-oxo-3,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxamido)benzoate
- Molecular formula
- C21H18N2O5
- Molecular weight
- 378.38
Names & synonyms
Oprea1_203492Oprea1_272075STL514050AKOS000626429AKOS037491717EU-0099006SR-01000588832SR-01000588832-1BRD-K52041055-001-01-8methyl 4-(1-hydroxy-3-oxo-3,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxamido)benzoatemethyl 4-[(7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carbonyl)amino]benzoatemethyl 4-{[(3-hydroxy-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-2-yl)carbonyl]amino}benzoate
Show more names
Benzoic acid, 4-[[(2,3-dihydro-7-hydroxy-5-oxo-1H,5H-benzo[ij]quinolizin-6-yl)carbonyl]amino]-, methyl ester
METHYL 4-{[(7-HYDROXY-5-OXO-2,3-DIHYDRO-1H,5H-PYRIDO[3,2,1-IJ]QUINOLIN-6-YL)CARBONYL]AMINO}BENZOATE
Database identifiers
- CAS
376382-42-2
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 695
Physicochemical properties
- Boiling point
- 612.9 · 612.9±55.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
Chemistry & industry
Suppliers3 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…