3-chloro-7-(1-hydroxypropyl)-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-one

HCID 57722948
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Basic information

Standard SMILES
CCC(O)c1ccc2ccc3ncc(Cl)cc3c(=O)c2c1
InChIKey
NSRCVJRXMDWHHO-UHFFFAOYSA-N
Molecular formula
C17H14ClNO2
Average molar mass
299.7 g/mol

Names & identifiers

Preferred name
3-chloro-7-(1-hydroxypropyl)-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-one
IUPAC
5-chloro-14-(1-hydroxypropyl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one

Names & synonyms

SCHEMBL2360790NSRCVJRXMDWHHO-UHFFFAOYSA-N3-chloro-7-(1-hydroxypropyl)-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-one

Database identifiers

PubChem CID
57722948

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
50.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
21

Related reactions

2 records
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Compound notes

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