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Basic information
- Standard SMILES
NC1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc34)cn2)C1- InChIKey
LCFDWDAPNUMZKM-UHFFFAOYSA-N- Molecular formula
- C29H27Cl2N5O2
- Average molar mass
- 548.5 g/mol
Names & identifiers
- Preferred name
- (4-(6-(3-Aminopiperidin-1-yl)pyridin-3-ylamino)-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl)(cyclopropyl)methanone
- IUPAC
- [4-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl]-cyclopropylmethanone
Names & synonyms
SCHEMBL529840CHEMBL3679193LCFDWDAPNUMZKM-UHFFFAOYSA-NBDBM177190US9120749, 556(4-(6-(3-aminopiperidin-1-yl)pyridin-3-ylamino)-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl)(cyclopropyl)methanone
Database identifiers
- PubChem CID
- 66715331
- ChEMBL
CHEMBL3679193
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 821
Related reactions
1 records
Compound notes
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