N-[7-(5-fluoro-2-propan-2-yloxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide

C22H21FN2O2 — CID 71115409

IUPACN-[7-(5-fluoro-2-propan-2-yloxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCC(C)Oc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C22H21FN2O2/c1-13(2)27-20-8-7-18(23)11-19(20)16-6-5-15-10-21(24-12-17(15)9-16)25-22(26)14-3-4-14/h5-14H,3-4H2,1-2H3,(H,24,25,26)
InChIKeyUQAWIRVDQFEQED-UHFFFAOYSA-N
MW364.42 g/mol
LogP5.18
Rot. Bonds5

About N-[7-(5-fluoro-2-propan-2-yloxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-(5-fluoro-2-propan-2-yloxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 71115409) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[7-(5-fluoro-2-propan-2-yloxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(5-fluoro-2-propan-2-yloxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID71115409
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC NameN-[7-(5-fluoro-2-propan-2-yloxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCC(C)Oc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C22H21FN2O2/c1-13(2)27-20-8-7-18(23)11-19(20)16-6-5-15-10-21(24-12-17(15)9-16)25-22(26)14-3-4-14/h5-14H,3-4H2,1-2H3,(H,24,25,26)
InChIKeyUQAWIRVDQFEQED-UHFFFAOYSA-N
XLogP5.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.42
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-(5-fluoro-2-propan-2-yloxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(5-fluoro-2-propan-2-yloxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 71115409) is N-[7-(5-fluoro-2-propan-2-yloxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(5-fluoro-2-propan-2-yloxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(5-fluoro-2-propan-2-yloxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide is CC(C)Oc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[7-(5-fluoro-2-propan-2-yloxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is UQAWIRVDQFEQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-13(2)27-20-8-7-18(23)11-19(20)16-6-5-15-10-21(24-12-17(15)9-16)25-22(26)14-3-4-14/h5-14H,3-4H2,1-2H3,(H,24,25,26).
What are the key properties of N-[7-(5-fluoro-2-propan-2-yloxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(5-fluoro-2-propan-2-yloxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 364.42 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-fluoro-2-propan-2-yloxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71115409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).