Basic information
- CAS
479077-76-4- Standard SMILES
CC(=O)c1ccc(Nc2c3ccccc3nc3occc23)cc1- InChIKey
VJDPGTFIMDGXDQ-UHFFFAOYSA-N- Molecular formula
- C19H14N2O2
- Average molar mass
- 302.3 g/mol
- Monoisotopic mass
- 302.10552769
Names & identifiers
- Preferred name
- 1-(4-(Furo(2,3-b)quinolin-4-ylamino)phenyl)ethanone
- IUPAC
- 1-[4-(furo[2,3-b]quinolin-4-ylamino)phenyl]ethanone
- English name
- CIL-102
- Molecular formula
- C19H14N2O2
- Molecular weight
- 302.33
Names & synonyms
1-[4-(Furo[2,3-b]quinolin-4-ylamino)phenyl]ethanone1-(4-(furo[2,3-b]quinolin-4-ylamino)phenyl)ethanone1-(4-(furo(2,3-b)quinolin-4-ylamino)phenyl)ethanoneFQAP-ethanoneRefChem:200177479077-76-4Ethanone, 1-[4-(furo[2,3-b]quinolin-4-ylamino)phenyl]-NSC720555CHEMBL590958orb2945439SCHEMBL6712768SCHEMBL29531575
Show more names
DTXSID80328052VJDPGTFIMDGXDQ-UHFFFAOYSA-NAKOS025394700NSC-720555NCI60_041299CIL-102, >=95% (HPLC), solidHY-133845T204649
Database identifiers
- CAS
479077-76-4- PubChem CID
- 404353
- DTXSID
DTXSID80328052- ChEMBL
CHEMBL590958
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 433
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- solubility
- 12 mg/mL · DMSO: 12 mg/mL
- form
- solid
- InChI
- 1S/C19H14N2O2/c1-12(22)13-6-8-14(9-7-13)20-18-15-4-2-3-5-17(15)21-19-16(18)10-11-23-19/h2-11H,1H3,(H,20,21)
- InChIKey
- VJDPGTFIMDGXDQ-UHFFFAOYSA-N
- SMILES
- CC(=O)c1ccc(Nc2c3ccccc3nc4occc24)cc1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesCIL-102 is an inhibitor of Tubulin polymerization.
Suppliers3 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
VDM Biochemicals0330-2528181 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
2 records
Compound notes
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