2-(cycloheptanecarbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide

C18H24N2O3 — CID 58147195

IUPAC2-(cycloheptanecarbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CCN(C(=O)C1CCCCCC1)C2
InChIInChI=1S/C18H24N2O3/c21-17(19-23)15-7-8-16-12-20(10-9-14(16)11-15)18(22)13-5-3-1-2-4-6-13/h7-8,11,13,23H,1-6,9-10,12H2,(H,19,21)
InChIKeyFCXSSUYDHIGTNN-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.66
Rot. Bonds2

About 2-(cycloheptanecarbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide

2-(cycloheptanecarbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide (PubChem CID 58147195) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(cycloheptanecarbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide.

Molecular Properties

Compound Name2-(cycloheptanecarbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
PubChem CID58147195
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-(cycloheptanecarbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CCN(C(=O)C1CCCCCC1)C2
InChIInChI=1S/C18H24N2O3/c21-17(19-23)15-7-8-16-12-20(10-9-14(16)11-15)18(22)13-5-3-1-2-4-6-13/h7-8,11,13,23H,1-6,9-10,12H2,(H,19,21)
InChIKeyFCXSSUYDHIGTNN-UHFFFAOYSA-N
XLogP2.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptanecarbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The IUPAC name of 2-(cycloheptanecarbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide (CID 58147195) is 2-(cycloheptanecarbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide.
What is the SMILES notation for 2-(cycloheptanecarbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The canonical SMILES for 2-(cycloheptanecarbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide is O=C(NO)c1ccc2c(c1)CCN(C(=O)C1CCCCCC1)C2.
What is the InChIKey of 2-(cycloheptanecarbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The InChIKey is FCXSSUYDHIGTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(19-23)15-7-8-16-12-20(10-9-14(16)11-15)18(22)13-5-3-1-2-4-6-13/h7-8,11,13,23H,1-6,9-10,12H2,(H,19,21).
What are the key properties of 2-(cycloheptanecarbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide?
2-(cycloheptanecarbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptanecarbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide is sourced from PubChem (CID 58147195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).