3-amino-N-isoquinolin-6-yl-2-(4-methoxyphenyl)propanamide

C19H19N3O2 — CID 127026938

IUPAC3-amino-N-isoquinolin-6-yl-2-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CN)C(=O)Nc2ccc3cnccc3c2)cc1
InChIInChI=1S/C19H19N3O2/c1-24-17-6-3-13(4-7-17)18(11-20)19(23)22-16-5-2-15-12-21-9-8-14(15)10-16/h2-10,12,18H,11,20H2,1H3,(H,22,23)
InChIKeyIVYSMGOPLAGZLP-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.92
Rot. Bonds5

About 3-amino-N-isoquinolin-6-yl-2-(4-methoxyphenyl)propanamide

3-amino-N-isoquinolin-6-yl-2-(4-methoxyphenyl)propanamide (PubChem CID 127026938) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-amino-N-isoquinolin-6-yl-2-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-isoquinolin-6-yl-2-(4-methoxyphenyl)propanamide
PubChem CID127026938
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-amino-N-isoquinolin-6-yl-2-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CN)C(=O)Nc2ccc3cnccc3c2)cc1
InChIInChI=1S/C19H19N3O2/c1-24-17-6-3-13(4-7-17)18(11-20)19(23)22-16-5-2-15-12-21-9-8-14(15)10-16/h2-10,12,18H,11,20H2,1H3,(H,22,23)
InChIKeyIVYSMGOPLAGZLP-UHFFFAOYSA-N
XLogP2.92
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-isoquinolin-6-yl-2-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-amino-N-isoquinolin-6-yl-2-(4-methoxyphenyl)propanamide (CID 127026938) is 3-amino-N-isoquinolin-6-yl-2-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-N-isoquinolin-6-yl-2-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-amino-N-isoquinolin-6-yl-2-(4-methoxyphenyl)propanamide is COc1ccc(C(CN)C(=O)Nc2ccc3cnccc3c2)cc1.
What is the InChIKey of 3-amino-N-isoquinolin-6-yl-2-(4-methoxyphenyl)propanamide?
The InChIKey is IVYSMGOPLAGZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-17-6-3-13(4-7-17)18(11-20)19(23)22-16-5-2-15-12-21-9-8-14(15)10-16/h2-10,12,18H,11,20H2,1H3,(H,22,23).
What are the key properties of 3-amino-N-isoquinolin-6-yl-2-(4-methoxyphenyl)propanamide?
3-amino-N-isoquinolin-6-yl-2-(4-methoxyphenyl)propanamide has a molecular weight of 321.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-isoquinolin-6-yl-2-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 127026938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).