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N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-hydroxycyclopropane-1-carboxamide

C20H17FN2O2 — CID 71115205

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-hydroxycyclopropane-1-carboxamide
SMILESCc1ccc(F)cc1-c1ccc2cc(NC(=O)C3(O)CC3)ncc2c1
InChIInChI=1S/C20H17FN2O2/c1-12-2-5-16(21)10-17(12)14-4-3-13-9-18(22-11-15(13)8-14)23-19(24)20(25)6-7-20/h2-5,8-11,25H,6-7H2,1H3,(H,22,23,24)
InChIKeyALLUHAWZPXDZSO-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.81
Rot. Bonds3

About N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-hydroxycyclopropane-1-carboxamide

N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-hydroxycyclopropane-1-carboxamide (PubChem CID 71115205) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-hydroxycyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-hydroxycyclopropane-1-carboxamide
PubChem CID71115205
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC NameN-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-hydroxycyclopropane-1-carboxamide
SMILESCc1ccc(F)cc1-c1ccc2cc(NC(=O)C3(O)CC3)ncc2c1
InChIInChI=1S/C20H17FN2O2/c1-12-2-5-16(21)10-17(12)14-4-3-13-9-18(22-11-15(13)8-14)23-19(24)20(25)6-7-20/h2-5,8-11,25H,6-7H2,1H3,(H,22,23,24)
InChIKeyALLUHAWZPXDZSO-UHFFFAOYSA-N
XLogP3.81
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-hydroxycyclopropane-1-carboxamide?
The IUPAC name of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-hydroxycyclopropane-1-carboxamide (CID 71115205) is N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-hydroxycyclopropane-1-carboxamide.
What is the SMILES notation for N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-hydroxycyclopropane-1-carboxamide?
The canonical SMILES for N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-hydroxycyclopropane-1-carboxamide is Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3(O)CC3)ncc2c1.
What is the InChIKey of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-hydroxycyclopropane-1-carboxamide?
The InChIKey is ALLUHAWZPXDZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-12-2-5-16(21)10-17(12)14-4-3-13-9-18(22-11-15(13)8-14)23-19(24)20(25)6-7-20/h2-5,8-11,25H,6-7H2,1H3,(H,22,23,24).
What are the key properties of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-hydroxycyclopropane-1-carboxamide?
N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-hydroxycyclopropane-1-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-hydroxycyclopropane-1-carboxamide is sourced from PubChem (CID 71115205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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