Basic information
- CAS
590353-82-5- Standard SMILES
COc1cccc(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)c1- InChIKey
XIWQXISCPBZRCZ-UHFFFAOYSA-N- Molecular formula
- C18H14ClNO3
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.066221
Names & identifiers
- Preferred name
- 7-Chloro-2-(3-methoxyphenyl)-8-methylquinoline-4-carboxylic acid
- IUPAC
- 7-chloro-2-(3-methoxyphenyl)-8-methylquinoline-4-carboxylic acid
- English name
- 7-CHLORO-2-(3-METHOXYPHENYL)-8-METHYLQUINOLINE-4-CARBOXYLIC ACID
- Molecular formula
- C18H14ClNO3
- Molecular weight
- 327.76
Names & synonyms
7-chloro-2-(3-methoxyphenyl)-8-methylquinoline-4-carboxylic acid590353-82-5MFCD03422109Oprea1_374647DTXSID801171286ALBB-0006687-chloro-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylic AcidBBL017010STK438863AKOS003329932SB72191VS-05770
Show more names
4-Quinolinecarboxylic acid, 7-chloro-2-(3-methoxyphenyl)-8-methyl-
ST50844485H210427-Chloro-2-(3-methoxyphenyl)-8-methyl-4-quinolinecarboxylic acid7-chloro-2-(3-methoxyphenyl)-8-methylquinoline-4-carboxylicacid
Database identifiers
- CAS
590353-82-5- PubChem CID
- 3900864
- DTXSID
DTXSID801171286
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Boiling point
- 517.5 · 517.5±50.0 °C(Predicted)
- Density
- 1.327 · 1.327±0.06 g/cm3(Predicted)
- pka
- 0.79 · 0.79±0.10(Predicted)
Chemistry & industry
Suppliers5 total
COMBI-BLOCKS[email protected]
常州欣特科化工有限公司-
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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