N-[7-(2-cyano-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide

C20H15N3O2 — CID 67974908

IUPACN-[7-(2-cyano-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESN#Cc1ccc(O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C20H15N3O2/c21-10-15-5-6-17(24)9-18(15)14-4-3-13-8-19(22-11-16(13)7-14)23-20(25)12-1-2-12/h3-9,11-12,24H,1-2H2,(H,22,23,25)
InChIKeyZHLWFKCXSWARJT-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.83
Rot. Bonds3

About N-[7-(2-cyano-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-(2-cyano-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 67974908) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[7-(2-cyano-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(2-cyano-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID67974908
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC NameN-[7-(2-cyano-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESN#Cc1ccc(O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C20H15N3O2/c21-10-15-5-6-17(24)9-18(15)14-4-3-13-8-19(22-11-16(13)7-14)23-20(25)12-1-2-12/h3-9,11-12,24H,1-2H2,(H,22,23,25)
InChIKeyZHLWFKCXSWARJT-UHFFFAOYSA-N
XLogP3.83
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-(2-cyano-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(2-cyano-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 67974908) is N-[7-(2-cyano-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(2-cyano-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(2-cyano-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide is N#Cc1ccc(O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[7-(2-cyano-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is ZHLWFKCXSWARJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c21-10-15-5-6-17(24)9-18(15)14-4-3-13-8-19(22-11-16(13)7-14)23-20(25)12-1-2-12/h3-9,11-12,24H,1-2H2,(H,22,23,25).
What are the key properties of N-[7-(2-cyano-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(2-cyano-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-cyano-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67974908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).