2-Tetrahydropyranylmethyl 2-(7-chloro-4-quinolyl)aminobenzoate

HCID 21294474
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Basic information

Standard SMILES
O=C(OCC1CCCCO1)c1ccccc1Nc1ccnc2cc(Cl)ccc12
InChIKey
ZHDXOOBXMUUMNX-UHFFFAOYSA-N
Molecular formula
C22H21ClN2O3
Average molar mass
396.9 g/mol

Names & identifiers

Preferred name
2-Tetrahydropyranylmethyl 2-(7-chloro-4-quinolyl)aminobenzoate
IUPAC
oxan-2-ylmethyl 2-[(7-chloroquinolin-4-yl)amino]benzoate

Names & synonyms

SCHEMBL10626120ZHDXOOBXMUUMNX-UHFFFAOYSA-N2-Tetrahydropyranylmethyl 2-(7-chloro-4-quinolyl)aminobenzoate

Database identifiers

PubChem CID
21294474

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
60.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
28

Related reactions

1 records
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Compound notes

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