Cyclopropyl{6-(3,5-dichloro-4-hydroxyphenyl)-4-[5-(2-(pyrrolidin-1-yl)ethyl)pyridin-3-ylamino]quinolin-3-yl}methanone

HCID 66716005

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Basic information

Standard SMILES: O=C(c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1Nc1cncc(CCN2CCCC2)c1)C1CC1
InChIKey: IHWRLQFYYFBQCM-UHFFFAOYSA-N
Molecular formula: C30H28Cl2N4O2
Average molar mass: 547.5 g/mol
Monoisotopic mass: 546.1589315

Names & identifiers

Preferred name: Cyclopropyl{6-(3,5-dichloro-4-hydroxyphenyl)-4-[5-(2-(pyrrolidin-1-yl)ethyl)pyridin-3-ylamino]quinolin-3-yl}methanone
IUPAC: cyclopropyl-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[5-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]amino]quinolin-3-yl]methanone

Names & synonyms

SCHEMBL530081CHEMBL3684236IHWRLQFYYFBQCM-UHFFFAOYSA-NBDBM177514US9120749, 881Cyclopropyl{6-(3,5-dichloro-4-hydroxyphenyl)-4-[5-(2-(pyrrolidin-1-yl)ethyl)pyridin-3-ylamino]quinolin-3-yl}methanone

Database identifiers

PubChem CID: 66716005
ChEMBL: CHEMBL3684236

Properties

Computed structural properties

XLogP: 6.7
Topological polar surface area: 78.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 38
Formal charge: 0
Complexity: 797

Related reactions

1 records

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HRID 2271973As productuspto-grants-2015_09

Compound notes

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