N-cyano-N'-(4,4-dimethyl-1,2,3,4-tetrahydro-1,3-dioxo-7-isoquinolinyl)-O-phenylisourea

HCID 21242828
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Basic information

Standard SMILES
CC1(C)C(=O)NC(=O)c2cc(N=C(NC#N)Oc3ccccc3)ccc21
InChIKey
LNUIYIDVMONIPF-UHFFFAOYSA-N
Molecular formula
C19H16N4O3
Average molar mass
348.4 g/mol

Names & identifiers

Preferred name
N-cyano-N'-(4,4-dimethyl-1,2,3,4-tetrahydro-1,3-dioxo-7-isoquinolinyl)-O-phenylisourea
IUPAC
phenyl N-cyano-N'-(4,4-dimethyl-1,3-dioxoisoquinolin-7-yl)carbamimidate

Names & synonyms

SCHEMBL10542774SCHEMBL10542782SCHEMBL10542788LNUIYIDVMONIPF-UHFFFAOYSA-NN-cyano-N'-(4,4-dimethyl-1,2,3,4-tetrahydro-1,3-dioxo-7-isoquinolinyl)-O-phenylisourea

Database identifiers

PubChem CID
21242828

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
104 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
26

Related reactions

2 records
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Compound notes

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