4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide

C22H23N3O2 — CID 57383478

IUPAC4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(-c2nccc3ccccc23)cc1
InChIInChI=1S/C22H23N3O2/c26-22(24-11-12-25-13-15-27-16-14-25)19-7-5-18(6-8-19)21-20-4-2-1-3-17(20)9-10-23-21/h1-10H,11-16H2,(H,24,26)
InChIKeyJZHDIGBWZULPFR-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.96
Rot. Bonds5

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

4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 57383478) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID57383478
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(-c2nccc3ccccc23)cc1
InChIInChI=1S/C22H23N3O2/c26-22(24-11-12-25-13-15-27-16-14-25)19-7-5-18(6-8-19)21-20-4-2-1-3-17(20)9-10-23-21/h1-10H,11-16H2,(H,24,26)
InChIKeyJZHDIGBWZULPFR-UHFFFAOYSA-N
XLogP2.96
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 50838551
2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 117088266
4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrate
CID 18415770
N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 42691502
N-(2-morpholin-4-ylethyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 20916111
N-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-2-carboxamide
CID 6460423
N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109301579
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 1220212
3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 118779645
N-(2-morpholin-4-ylethyl)quinoline-8-carboxamide
CID 30370396

Frequently Asked Questions

What is the IUPAC name of 4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide (CID 57383478) is 4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide is O=C(NCCN1CCOCC1)c1ccc(-c2nccc3ccccc23)cc1.
What is the InChIKey of 4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is JZHDIGBWZULPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-22(24-11-12-25-13-15-27-16-14-25)19-7-5-18(6-8-19)21-20-4-2-1-3-17(20)9-10-23-21/h1-10H,11-16H2,(H,24,26).
What are the key properties of 4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide?
4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 361.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 57383478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).