N-[[4-[Bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-phenyl-quinoline-4-carboxamide
Basic information
- CAS
5445-69-2- Standard SMILES
O=C(NN=Cc1ccc(N(CCCl)CCCl)cc1)c1cc(-c2ccccc2)nc2ccccc12- InChIKey
ZPWLEHJLEADNJX-UHFFFAOYSA-N- Molecular formula
- C27H24Cl2N4O
- Average molar mass
- 491.4 g/mol
- Monoisotopic mass
- 490.1327168
Names & identifiers
- Preferred name
- N-[[4-[Bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-phenyl-quinoline-4-carboxamide
- IUPAC
- N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
Names & synonyms
5445-69-2DTXSID90969612N-({4-[Bis(2-chloroethyl)amino]phenyl}methylidene)-2-phenylquinoline-4-carbohydrazonic acidDS-002217N-[[4-[BIS(2-CHLOROETHYL)AMINO]PHENYL]METHYLIDENEAMINO]-2-PHENYL-QUINOLINE-4-CARBOXAMIDE
Database identifiers
- CAS
5445-69-2- PubChem CID
- 228939
- DTXSID
DTXSID90969612
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 643
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…