3-amino-2-(4-hydroxy-3-methoxyphenyl)-N-isoquinolin-6-ylpropanamide

C19H19N3O3 — CID 59563827

IUPAC3-amino-2-(4-hydroxy-3-methoxyphenyl)-N-isoquinolin-6-ylpropanamide
SMILESCOc1cc(C(CN)C(=O)Nc2ccc3cnccc3c2)ccc1O
InChIInChI=1S/C19H19N3O3/c1-25-18-9-13(3-5-17(18)23)16(10-20)19(24)22-15-4-2-14-11-21-7-6-12(14)8-15/h2-9,11,16,23H,10,20H2,1H3,(H,22,24)
InChIKeyZYEVARMRKIMOSZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.63
Rot. Bonds5

About 3-amino-2-(4-hydroxy-3-methoxyphenyl)-N-isoquinolin-6-ylpropanamide

3-amino-2-(4-hydroxy-3-methoxyphenyl)-N-isoquinolin-6-ylpropanamide (PubChem CID 59563827) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-amino-2-(4-hydroxy-3-methoxyphenyl)-N-isoquinolin-6-ylpropanamide.

Molecular Properties

Compound Name3-amino-2-(4-hydroxy-3-methoxyphenyl)-N-isoquinolin-6-ylpropanamide
PubChem CID59563827
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-amino-2-(4-hydroxy-3-methoxyphenyl)-N-isoquinolin-6-ylpropanamide
SMILESCOc1cc(C(CN)C(=O)Nc2ccc3cnccc3c2)ccc1O
InChIInChI=1S/C19H19N3O3/c1-25-18-9-13(3-5-17(18)23)16(10-20)19(24)22-15-4-2-14-11-21-7-6-12(14)8-15/h2-9,11,16,23H,10,20H2,1H3,(H,22,24)
InChIKeyZYEVARMRKIMOSZ-UHFFFAOYSA-N
XLogP2.63
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-hydroxy-3-methoxyphenyl)-N-isoquinolin-6-ylpropanamide?
The IUPAC name of 3-amino-2-(4-hydroxy-3-methoxyphenyl)-N-isoquinolin-6-ylpropanamide (CID 59563827) is 3-amino-2-(4-hydroxy-3-methoxyphenyl)-N-isoquinolin-6-ylpropanamide.
What is the SMILES notation for 3-amino-2-(4-hydroxy-3-methoxyphenyl)-N-isoquinolin-6-ylpropanamide?
The canonical SMILES for 3-amino-2-(4-hydroxy-3-methoxyphenyl)-N-isoquinolin-6-ylpropanamide is COc1cc(C(CN)C(=O)Nc2ccc3cnccc3c2)ccc1O.
What is the InChIKey of 3-amino-2-(4-hydroxy-3-methoxyphenyl)-N-isoquinolin-6-ylpropanamide?
The InChIKey is ZYEVARMRKIMOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-18-9-13(3-5-17(18)23)16(10-20)19(24)22-15-4-2-14-11-21-7-6-12(14)8-15/h2-9,11,16,23H,10,20H2,1H3,(H,22,24).
What are the key properties of 3-amino-2-(4-hydroxy-3-methoxyphenyl)-N-isoquinolin-6-ylpropanamide?
3-amino-2-(4-hydroxy-3-methoxyphenyl)-N-isoquinolin-6-ylpropanamide has a molecular weight of 337.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-hydroxy-3-methoxyphenyl)-N-isoquinolin-6-ylpropanamide is sourced from PubChem (CID 59563827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).