5-fluoro-N-hydroxy-2-propyl-3,4-dihydro-1H-isoquinoline-7-carboxamide

C13H17FN2O2 — CID 155598438

IUPAC5-fluoro-N-hydroxy-2-propyl-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCCCN1CCc2c(F)cc(C(=O)NO)cc2C1
InChIInChI=1S/C13H17FN2O2/c1-2-4-16-5-3-11-10(8-16)6-9(7-12(11)14)13(17)15-18/h6-7,18H,2-5,8H2,1H3,(H,15,17)
InChIKeyINVJXWKYISUCMN-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.71
Rot. Bonds3

About 5-fluoro-N-hydroxy-2-propyl-3,4-dihydro-1H-isoquinoline-7-carboxamide

5-fluoro-N-hydroxy-2-propyl-3,4-dihydro-1H-isoquinoline-7-carboxamide (PubChem CID 155598438) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-fluoro-N-hydroxy-2-propyl-3,4-dihydro-1H-isoquinoline-7-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-hydroxy-2-propyl-3,4-dihydro-1H-isoquinoline-7-carboxamide
PubChem CID155598438
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name5-fluoro-N-hydroxy-2-propyl-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCCCN1CCc2c(F)cc(C(=O)NO)cc2C1
InChIInChI=1S/C13H17FN2O2/c1-2-4-16-5-3-11-10(8-16)6-9(7-12(11)14)13(17)15-18/h6-7,18H,2-5,8H2,1H3,(H,15,17)
InChIKeyINVJXWKYISUCMN-UHFFFAOYSA-N
XLogP1.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.71
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'}

Analyze 5-fluoro-N-hydroxy-2-propyl-3,4-dihydro-1H-isoquinoline-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-hydroxy-2-propyl-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The IUPAC name of 5-fluoro-N-hydroxy-2-propyl-3,4-dihydro-1H-isoquinoline-7-carboxamide (CID 155598438) is 5-fluoro-N-hydroxy-2-propyl-3,4-dihydro-1H-isoquinoline-7-carboxamide.
What is the SMILES notation for 5-fluoro-N-hydroxy-2-propyl-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The canonical SMILES for 5-fluoro-N-hydroxy-2-propyl-3,4-dihydro-1H-isoquinoline-7-carboxamide is CCCN1CCc2c(F)cc(C(=O)NO)cc2C1.
What is the InChIKey of 5-fluoro-N-hydroxy-2-propyl-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The InChIKey is INVJXWKYISUCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-2-4-16-5-3-11-10(8-16)6-9(7-12(11)14)13(17)15-18/h6-7,18H,2-5,8H2,1H3,(H,15,17).
What are the key properties of 5-fluoro-N-hydroxy-2-propyl-3,4-dihydro-1H-isoquinoline-7-carboxamide?
5-fluoro-N-hydroxy-2-propyl-3,4-dihydro-1H-isoquinoline-7-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-hydroxy-2-propyl-3,4-dihydro-1H-isoquinoline-7-carboxamide is sourced from PubChem (CID 155598438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).