6-Chloro-N-[(1-hydroxycycloheptyl)methyl]-2-{(3S)-3-[(2-hydroxyethyl)amino]-pyrrolidin-1-yl}quinoline-5-carboxamide
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Basic information
- Standard SMILES
O=C(NCC1(O)CCCCCC1)c1c(Cl)ccc2nc(N3CC[C@H](NCCO)C3)ccc12- InChIKey
MNBGVCVUUUQEQK-KRWDZBQOSA-N- Molecular formula
- C24H33ClN4O3
- Average molar mass
- 461 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-N-[(1-hydroxycycloheptyl)methyl]-2-{(3S)-3-[(2-hydroxyethyl)amino]-pyrrolidin-1-yl}quinoline-5-carboxamide
- IUPAC
- 6-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-[(3S)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]quinoline-5-carboxamide
Names & synonyms
SCHEMBL491858MNBGVCVUUUQEQK-KRWDZBQOSA-N6-Chloro-N-[(1-hydroxycycloheptyl)methyl]-2-{(3S)-3-[(2-hydroxyethyl)amino]-pyrrolidin-1-yl}quinoline-5-carboxamide
Database identifiers
- PubChem CID
- 57733991
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 616
Related reactions
1 records
Compound notes
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