N-[7-(2-cyano-6-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide

C21H17N3O2 — CID 71115776

IUPACN-[7-(2-cyano-6-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCOc1cccc(C#N)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C21H17N3O2/c1-26-18-4-2-3-16(11-22)20(18)15-8-7-14-10-19(23-12-17(14)9-15)24-21(25)13-5-6-13/h2-4,7-10,12-13H,5-6H2,1H3,(H,23,24,25)
InChIKeyPMJHOVLKCGONKC-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.13
Rot. Bonds4

About N-[7-(2-cyano-6-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-(2-cyano-6-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 71115776) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[7-(2-cyano-6-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(2-cyano-6-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID71115776
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[7-(2-cyano-6-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCOc1cccc(C#N)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C21H17N3O2/c1-26-18-4-2-3-16(11-22)20(18)15-8-7-14-10-19(23-12-17(14)9-15)24-21(25)13-5-6-13/h2-4,7-10,12-13H,5-6H2,1H3,(H,23,24,25)
InChIKeyPMJHOVLKCGONKC-UHFFFAOYSA-N
XLogP4.13
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-(2-cyano-6-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(2-cyano-6-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 71115776) is N-[7-(2-cyano-6-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(2-cyano-6-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(2-cyano-6-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide is COc1cccc(C#N)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[7-(2-cyano-6-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is PMJHOVLKCGONKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-26-18-4-2-3-16(11-22)20(18)15-8-7-14-10-19(23-12-17(14)9-15)24-21(25)13-5-6-13/h2-4,7-10,12-13H,5-6H2,1H3,(H,23,24,25).
What are the key properties of N-[7-(2-cyano-6-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(2-cyano-6-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 343.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-cyano-6-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71115776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).