4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide

C22H24N4O2 — CID 58495776

IUPAC4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide
SMILESCOCC1CN(c2cncc3ccc(C(N)=O)cc23)CCN1c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-28-15-19-14-25(9-10-26(19)18-5-3-2-4-6-18)21-13-24-12-17-8-7-16(22(23)27)11-20(17)21/h2-8,11-13,19H,9-10,14-15H2,1H3,(H2,23,27)
InChIKeyMZLIFVNTWFZFFP-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.68
Rot. Bonds5

About 4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide

4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide (PubChem CID 58495776) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide
PubChem CID58495776
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide
SMILESCOCC1CN(c2cncc3ccc(C(N)=O)cc23)CCN1c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-28-15-19-14-25(9-10-26(19)18-5-3-2-4-6-18)21-13-24-12-17-8-7-16(22(23)27)11-20(17)21/h2-8,11-13,19H,9-10,14-15H2,1H3,(H2,23,27)
InChIKeyMZLIFVNTWFZFFP-UHFFFAOYSA-N
XLogP2.68
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide?
The IUPAC name of 4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide (CID 58495776) is 4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide.
What is the SMILES notation for 4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide?
The canonical SMILES for 4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide is COCC1CN(c2cncc3ccc(C(N)=O)cc23)CCN1c1ccccc1.
What is the InChIKey of 4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide?
The InChIKey is MZLIFVNTWFZFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-15-19-14-25(9-10-26(19)18-5-3-2-4-6-18)21-13-24-12-17-8-7-16(22(23)27)11-20(17)21/h2-8,11-13,19H,9-10,14-15H2,1H3,(H2,23,27).
What are the key properties of 4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide?
4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide is sourced from PubChem (CID 58495776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).