4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile

HCID 5330110
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Basic information

Standard SMILES
COCCOc1cc2ncc(C#N)c(Nc3cc(OC)c(Cl)cc3Cl)c2cc1OC
InChIKey
RFMNZXCDCPAELC-UHFFFAOYSA-N
Molecular formula
C21H19Cl2N3O4
Average molar mass
448.3 g/mol

Names & identifiers

Preferred name
4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile
IUPAC
4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile

Names & synonyms

3-quinolinecarbonitrile 13BDBM6125CHEMBL124333SCHEMBL6182533RFMNZXCDCPAELC-UHFFFAOYSA-N4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[2-methoxyethoxy]-3-quinolinecarbonitrile

Database identifiers

PubChem CID
5330110
ChEMBL
CHEMBL124333
Nikkaji
J2.038.402F

Properties

Computed structural properties

XLogP
5
Topological polar surface area
85.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
30

Related reactions

2 records
New reaction record

Compound notes

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