N-(trans-4-methylcyclohexyl)isoquinoline-1-carboxamide

HCID 22136382
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Basic information

Standard SMILES
CC1CCC(NC(=O)c2nccc3ccccc23)CC1
InChIKey
WUJGNBBQSAYWEO-UHFFFAOYSA-N
Molecular formula
C17H20N2O
Average molar mass
268.35 g/mol

Names & identifiers

Preferred name
N-(trans-4-methylcyclohexyl)isoquinoline-1-carboxamide
IUPAC
N-(4-methylcyclohexyl)isoquinoline-1-carboxamide

Names & synonyms

SCHEMBL6084369SCHEMBL6084376WUJGNBBQSAYWEO-MQMHXKEQSA-NN-(trans-4-methylcyclohexyl)isoquinoline 1-carboxamideN-(trans-4-methylcyclohexyl)isoquinoline-1-carboxamide

Database identifiers

PubChem CID
22136382

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
42 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
20

Related reactions

1 records
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Compound notes

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