2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide

C15H19N3O2 — CID 106537629

IUPAC2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nccc2cc(OC)ccc12
InChIInChI=1S/C15H19N3O2/c1-3-7-16-14(19)10-18-15-13-5-4-12(20-2)9-11(13)6-8-17-15/h4-6,8-9H,3,7,10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyRTZBDHHNOSOAEW-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.18
Rot. Bonds6

About 2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide

2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide (PubChem CID 106537629) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide
PubChem CID106537629
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nccc2cc(OC)ccc12
InChIInChI=1S/C15H19N3O2/c1-3-7-16-14(19)10-18-15-13-5-4-12(20-2)9-11(13)6-8-17-15/h4-6,8-9H,3,7,10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyRTZBDHHNOSOAEW-UHFFFAOYSA-N
XLogP2.18
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide
CID 106539212
1-[(6-methoxyisoquinolin-1-yl)amino]-2-methylpentan-2-ol
CID 106290621
1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol
CID 106539773
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314
3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide
CID 106278262
N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine
CID 106539875
2-(5-methoxy-2-methylanilino)-N-propylacetamide
CID 113256459
2-[(5-methoxy-2-pyridinyl)amino]-N-propylacetamide
CID 106503985
6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine
CID 106538439
N-(2-chloropropyl)-6-methoxyisoquinolin-1-amine
CID 106542661
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539932
N-(6-methoxyisoquinolin-1-yl)-N',N'-dimethylbutane-1,4-diamine
CID 106538289

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide (CID 106537629) is 2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide is CCCNC(=O)CNc1nccc2cc(OC)ccc12.
What is the InChIKey of 2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide?
The InChIKey is RTZBDHHNOSOAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-7-16-14(19)10-18-15-13-5-4-12(20-2)9-11(13)6-8-17-15/h4-6,8-9H,3,7,10H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide?
2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide has a molecular weight of 273.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide is sourced from PubChem (CID 106537629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).