N-[7-(5-methoxy-1H-indol-3-yl)isoquinolin-6-yl]acetamide

C20H17N3O2 — CID 77106030

IUPACN-[7-(5-methoxy-1H-indol-3-yl)isoquinolin-6-yl]acetamide
SMILESCOc1ccc2[nH]cc(-c3cc4cnccc4cc3NC(C)=O)c2c1
InChIInChI=1S/C20H17N3O2/c1-12(24)23-20-8-13-5-6-21-10-14(13)7-16(20)18-11-22-19-4-3-15(25-2)9-17(18)19/h3-11,22H,1-2H3,(H,23,24)
InChIKeyZNBZVAGNLWMGJD-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.35
Rot. Bonds3

About N-[7-(5-methoxy-1H-indol-3-yl)isoquinolin-6-yl]acetamide

N-[7-(5-methoxy-1H-indol-3-yl)isoquinolin-6-yl]acetamide (PubChem CID 77106030) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[7-(5-methoxy-1H-indol-3-yl)isoquinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[7-(5-methoxy-1H-indol-3-yl)isoquinolin-6-yl]acetamide
PubChem CID77106030
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-[7-(5-methoxy-1H-indol-3-yl)isoquinolin-6-yl]acetamide
SMILESCOc1ccc2[nH]cc(-c3cc4cnccc4cc3NC(C)=O)c2c1
InChIInChI=1S/C20H17N3O2/c1-12(24)23-20-8-13-5-6-21-10-14(13)7-16(20)18-11-22-19-4-3-15(25-2)9-17(18)19/h3-11,22H,1-2H3,(H,23,24)
InChIKeyZNBZVAGNLWMGJD-UHFFFAOYSA-N
XLogP4.35
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-(5-methoxy-1H-indol-3-yl)isoquinolin-6-yl]acetamide?
The IUPAC name of N-[7-(5-methoxy-1H-indol-3-yl)isoquinolin-6-yl]acetamide (CID 77106030) is N-[7-(5-methoxy-1H-indol-3-yl)isoquinolin-6-yl]acetamide.
What is the SMILES notation for N-[7-(5-methoxy-1H-indol-3-yl)isoquinolin-6-yl]acetamide?
The canonical SMILES for N-[7-(5-methoxy-1H-indol-3-yl)isoquinolin-6-yl]acetamide is COc1ccc2[nH]cc(-c3cc4cnccc4cc3NC(C)=O)c2c1.
What is the InChIKey of N-[7-(5-methoxy-1H-indol-3-yl)isoquinolin-6-yl]acetamide?
The InChIKey is ZNBZVAGNLWMGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-12(24)23-20-8-13-5-6-21-10-14(13)7-16(20)18-11-22-19-4-3-15(25-2)9-17(18)19/h3-11,22H,1-2H3,(H,23,24).
What are the key properties of N-[7-(5-methoxy-1H-indol-3-yl)isoquinolin-6-yl]acetamide?
N-[7-(5-methoxy-1H-indol-3-yl)isoquinolin-6-yl]acetamide has a molecular weight of 331.38 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-methoxy-1H-indol-3-yl)isoquinolin-6-yl]acetamide is sourced from PubChem (CID 77106030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).