4-(3-methylisoquinolin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide

C23H25N3O2 — CID 56962332

IUPAC4-(3-methylisoquinolin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cc2ccccc2c(-c2ccc(C(=O)NCCN3CCOCC3)cc2)n1
InChIInChI=1S/C23H25N3O2/c1-17-16-20-4-2-3-5-21(20)22(25-17)18-6-8-19(9-7-18)23(27)24-10-11-26-12-14-28-15-13-26/h2-9,16H,10-15H2,1H3,(H,24,27)
InChIKeyTUUADNJAZQZKLA-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.27
Rot. Bonds5

About 4-(3-methylisoquinolin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide

4-(3-methylisoquinolin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 56962332) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-(3-methylisoquinolin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-(3-methylisoquinolin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID56962332
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name4-(3-methylisoquinolin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cc2ccccc2c(-c2ccc(C(=O)NCCN3CCOCC3)cc2)n1
InChIInChI=1S/C23H25N3O2/c1-17-16-20-4-2-3-5-21(20)22(25-17)18-6-8-19(9-7-18)23(27)24-10-11-26-12-14-28-15-13-26/h2-9,16H,10-15H2,1H3,(H,24,27)
InChIKeyTUUADNJAZQZKLA-UHFFFAOYSA-N
XLogP3.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylisoquinolin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-(3-methylisoquinolin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide (CID 56962332) is 4-(3-methylisoquinolin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-(3-methylisoquinolin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-(3-methylisoquinolin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide is Cc1cc2ccccc2c(-c2ccc(C(=O)NCCN3CCOCC3)cc2)n1.
What is the InChIKey of 4-(3-methylisoquinolin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is TUUADNJAZQZKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-16-20-4-2-3-5-21(20)22(25-17)18-6-8-19(9-7-18)23(27)24-10-11-26-12-14-28-15-13-26/h2-9,16H,10-15H2,1H3,(H,24,27).
What are the key properties of 4-(3-methylisoquinolin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide?
4-(3-methylisoquinolin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 375.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylisoquinolin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 56962332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).