10-Chloro-1,4,6,9-tetrahydro-4,6-dioxopyrido(3,2-g)quinoline-2,8-dicarboxylic acid
Basic information
- CAS
49635-52-1- Standard SMILES
O=C(O)c1cc(=O)c2cc3c(=O)cc(C(=O)O)[nH]c3c(Cl)c2[nH]1- InChIKey
KCHNFJBUYMAXKH-UHFFFAOYSA-N- Molecular formula
- C14H7ClN2O6
- Average molar mass
- 334.67 g/mol
- Monoisotopic mass
- 333.9992636
Overview
inhibitor of allergic reactions; structure
Names & identifiers
- Preferred name
- 10-Chloro-1,4,6,9-tetrahydro-4,6-dioxopyrido(3,2-g)quinoline-2,8-dicarboxylic acid
- IUPAC
- 10-chloro-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8-dicarboxylic acid
Names & synonyms
49635-52-110-Chloro-1,4,6,9-tetrahydro-4,6-dioxopyrido(3,2-g)quinoline-2,8-dicarboxylic acidHGP4ZD3HXJNSC-299203DTXSID00197944U-38650Pyrido(3,2-g)quinoline-2,8-dicarboxylic acid, 10-chloro-1,4,6,9-tetrahydro-4,6-dioxo-10-chloro-1,4,6,9-tetrahydro-4,6-dioxopyrido[3,2-g]quinoline-2,8-dicarboxylic acidPyrido[3,2-g]quinoline-2,8-dicarboxylic acid, 10-chloro-1,4,6,9-tetrahydro-4,6-dioxo-RefChem:77453DTXCID60120435NSC299203
Show more names
10-chloro-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8-dicarboxylic acid10-chloro-4,6-dioxo-1,4,6,9-tetrahydropyrido[3,2-g]quinoline-2,8-dicarboxylic acidNSC 299203CHEMBL3230481SCHEMBL11638708KCHNFJBUYMAXKH-UHFFFAOYSA-NDS-01235910-Chloro-4,6-dihydroxypyrido[3,2-g]quinoline-2,8-dicarboxylic acid
Database identifiers
- CAS
49635-52-1- PubChem CID
- 72775
- DTXSID
DTXSID00197944- ChEMBL
CHEMBL3230481
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 629
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Related reactions
2 records
Compound notes
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