N-isoquinolin-5-yl-2-morpholin-4-ylacetamide

C15H17N3O2 — CID 110483410

IUPACN-isoquinolin-5-yl-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cccc2cnccc12
InChIInChI=1S/C15H17N3O2/c19-15(11-18-6-8-20-9-7-18)17-14-3-1-2-12-10-16-5-4-13(12)14/h1-5,10H,6-9,11H2,(H,17,19)
InChIKeyPHLDYJZBBNTVEY-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.51
Rot. Bonds3

About N-isoquinolin-5-yl-2-morpholin-4-ylacetamide

N-isoquinolin-5-yl-2-morpholin-4-ylacetamide (PubChem CID 110483410) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-isoquinolin-5-yl-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-isoquinolin-5-yl-2-morpholin-4-ylacetamide
PubChem CID110483410
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-isoquinolin-5-yl-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cccc2cnccc12
InChIInChI=1S/C15H17N3O2/c19-15(11-18-6-8-20-9-7-18)17-14-3-1-2-12-10-16-5-4-13(12)14/h1-5,10H,6-9,11H2,(H,17,19)
InChIKeyPHLDYJZBBNTVEY-UHFFFAOYSA-N
XLogP1.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-4-yl-N-pyridin-3-ylacetamide
CID 124786353
N-isoquinolin-5-yl-3-sulfanylpropanamide
CID 107023450
(3R)-3-(hydroxymethyl)-N-isoquinolin-5-ylmorpholine-4-carboxamide
CID 97433996
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
3-(ethylamino)-N-isoquinolin-5-ylpropanamide
CID 62831440
2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
CID 8763151
N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
CID 54924139
2-anilino-N-isoquinolin-5-ylacetamide
CID 60860768
2-ethoxy-N-isoquinolin-5-ylacetamide
CID 60719162
2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide
CID 54928661

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-yl-2-morpholin-4-ylacetamide?
The IUPAC name of N-isoquinolin-5-yl-2-morpholin-4-ylacetamide (CID 110483410) is N-isoquinolin-5-yl-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-isoquinolin-5-yl-2-morpholin-4-ylacetamide?
The canonical SMILES for N-isoquinolin-5-yl-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1cccc2cnccc12.
What is the InChIKey of N-isoquinolin-5-yl-2-morpholin-4-ylacetamide?
The InChIKey is PHLDYJZBBNTVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(11-18-6-8-20-9-7-18)17-14-3-1-2-12-10-16-5-4-13(12)14/h1-5,10H,6-9,11H2,(H,17,19).
What are the key properties of N-isoquinolin-5-yl-2-morpholin-4-ylacetamide?
N-isoquinolin-5-yl-2-morpholin-4-ylacetamide has a molecular weight of 271.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-yl-2-morpholin-4-ylacetamide is sourced from PubChem (CID 110483410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).