2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methoxyethyl)acetamide

C14H17N3O3 — CID 106539384

IUPAC2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1nccc2ccc(O)cc12
InChIInChI=1S/C14H17N3O3/c1-20-7-6-15-13(19)9-17-14-12-8-11(18)3-2-10(12)4-5-16-14/h2-5,8,18H,6-7,9H2,1H3,(H,15,19)(H,16,17)
InChIKeyVDGWVGJRNQRVMN-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.11
Rot. Bonds6

About 2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methoxyethyl)acetamide

2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 106539384) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID106539384
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1nccc2ccc(O)cc12
InChIInChI=1S/C14H17N3O3/c1-20-7-6-15-13(19)9-17-14-12-8-11(18)3-2-10(12)4-5-16-14/h2-5,8,18H,6-7,9H2,1H3,(H,15,19)(H,16,17)
InChIKeyVDGWVGJRNQRVMN-UHFFFAOYSA-N
XLogP1.11
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(7-hydroxyisoquinolin-1-yl)amino]acetate
CID 106537658
2-[(3-amino-4-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 113405011
2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 115575489
3-[2-[(7-hydroxyisoquinolin-1-yl)amino]ethyl]-1,1-dimethylurea
CID 106539324
N,N-diethyl-3-[(7-hydroxyisoquinolin-1-yl)amino]propanamide
CID 106537734
2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide
CID 106537629
N-(2-methoxyethyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetamide
CID 104732076
N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9453782
N-[2-[(7-hydroxyisoquinolin-1-yl)amino]ethyl]methanesulfonamide
CID 106537595
N-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide
CID 106539212
2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 115696998
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314

Frequently Asked Questions

What is the IUPAC name of 2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methoxyethyl)acetamide (CID 106539384) is 2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1nccc2ccc(O)cc12.
What is the InChIKey of 2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is VDGWVGJRNQRVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-20-7-6-15-13(19)9-17-14-12-8-11(18)3-2-10(12)4-5-16-14/h2-5,8,18H,6-7,9H2,1H3,(H,15,19)(H,16,17).
What are the key properties of 2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methoxyethyl)acetamide?
2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 275.31 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 106539384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).