N-(6-morpholin-4-ylisoquinolin-1-yl)butanamide

C17H21N3O2 — CID 135329655

IUPACN-(6-morpholin-4-ylisoquinolin-1-yl)butanamide
SMILESCCCC(=O)Nc1nccc2cc(N3CCOCC3)ccc12
InChIInChI=1S/C17H21N3O2/c1-2-3-16(21)19-17-15-5-4-14(12-13(15)6-7-18-17)20-8-10-22-11-9-20/h4-7,12H,2-3,8-11H2,1H3,(H,18,19,21)
InChIKeyVPQQBAHQJIIMQQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.81
Rot. Bonds4

About N-(6-morpholin-4-ylisoquinolin-1-yl)butanamide

N-(6-morpholin-4-ylisoquinolin-1-yl)butanamide (PubChem CID 135329655) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(6-morpholin-4-ylisoquinolin-1-yl)butanamide.

Molecular Properties

Compound NameN-(6-morpholin-4-ylisoquinolin-1-yl)butanamide
PubChem CID135329655
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(6-morpholin-4-ylisoquinolin-1-yl)butanamide
SMILESCCCC(=O)Nc1nccc2cc(N3CCOCC3)ccc12
InChIInChI=1S/C17H21N3O2/c1-2-3-16(21)19-17-15-5-4-14(12-13(15)6-7-18-17)20-8-10-22-11-9-20/h4-7,12H,2-3,8-11H2,1H3,(H,18,19,21)
InChIKeyVPQQBAHQJIIMQQ-UHFFFAOYSA-N
XLogP2.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide
CID 122354898
N-(2-methoxy-5-morpholin-4-ylphenyl)pentanamide
CID 110359739
N-(2,6-dimethyl-4-morpholin-4-ylphenyl)octanamide
CID 11508231
2-isoquinolin-1-ylsulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 3789968
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pentanamide
CID 72718087
N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]butanamide
CID 11638272
2-ethoxy-6-morpholin-4-ylnaphthalene-1-carbaldehyde
CID 130392111
3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
CID 25469896

Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-ylisoquinolin-1-yl)butanamide?
The IUPAC name of N-(6-morpholin-4-ylisoquinolin-1-yl)butanamide (CID 135329655) is N-(6-morpholin-4-ylisoquinolin-1-yl)butanamide.
What is the SMILES notation for N-(6-morpholin-4-ylisoquinolin-1-yl)butanamide?
The canonical SMILES for N-(6-morpholin-4-ylisoquinolin-1-yl)butanamide is CCCC(=O)Nc1nccc2cc(N3CCOCC3)ccc12.
What is the InChIKey of N-(6-morpholin-4-ylisoquinolin-1-yl)butanamide?
The InChIKey is VPQQBAHQJIIMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-3-16(21)19-17-15-5-4-14(12-13(15)6-7-18-17)20-8-10-22-11-9-20/h4-7,12H,2-3,8-11H2,1H3,(H,18,19,21).
What are the key properties of N-(6-morpholin-4-ylisoquinolin-1-yl)butanamide?
N-(6-morpholin-4-ylisoquinolin-1-yl)butanamide has a molecular weight of 299.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-ylisoquinolin-1-yl)butanamide is sourced from PubChem (CID 135329655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).