N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide

C13H12N2O2 — CID 67975011

IUPACN-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccc(O)cc2cn1)C1CC1
InChIInChI=1S/C13H12N2O2/c16-11-4-3-9-6-12(14-7-10(9)5-11)15-13(17)8-1-2-8/h3-8,16H,1-2H2,(H,14,15,17)
InChIKeyPDLCYLLLINYRFA-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.29
Rot. Bonds2

About N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide

N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide (PubChem CID 67975011) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide
PubChem CID67975011
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccc(O)cc2cn1)C1CC1
InChIInChI=1S/C13H12N2O2/c16-11-4-3-9-6-12(14-7-10(9)5-11)15-13(17)8-1-2-8/h3-8,16H,1-2H2,(H,14,15,17)
InChIKeyPDLCYLLLINYRFA-UHFFFAOYSA-N
XLogP2.29
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410850
N-[7-[(1S,2R)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide;N-[7-[(1R,2S)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide
CID 161326719
N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974850
N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115252
N-[7-[4-(nitrosomethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587711
N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411093
N-[7-(2-methyl-5-nitrosophenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587707
N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]cyclobutanecarboxamide
CID 57411211
N-[7-(6-formyl-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 86674946
N-[7-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115127
N-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410357
N-[7-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115120

Frequently Asked Questions

What is the IUPAC name of N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide?
The IUPAC name of N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide (CID 67975011) is N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide is O=C(Nc1cc2ccc(O)cc2cn1)C1CC1.
What is the InChIKey of N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide?
The InChIKey is PDLCYLLLINYRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-11-4-3-9-6-12(14-7-10(9)5-11)15-13(17)8-1-2-8/h3-8,16H,1-2H2,(H,14,15,17).
What are the key properties of N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide?
N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide has a molecular weight of 228.25 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide is sourced from PubChem (CID 67975011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).