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

C19H19N3O — CID 59563759

IUPAC3-amino-N-isoquinolin-6-yl-2-(4-methylphenyl)propanamide
SMILESCc1ccc(C(CN)C(=O)Nc2ccc3cnccc3c2)cc1
InChIInChI=1S/C19H19N3O/c1-13-2-4-14(5-3-13)18(11-20)19(23)22-17-7-6-16-12-21-9-8-15(16)10-17/h2-10,12,18H,11,20H2,1H3,(H,22,23)
InChIKeyRYNNRJOFAOTZJJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.22
Rot. Bonds4

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

3-amino-N-isoquinolin-6-yl-2-(4-methylphenyl)propanamide (PubChem CID 59563759) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-amino-N-isoquinolin-6-yl-2-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-isoquinolin-6-yl-2-(4-methylphenyl)propanamide
PubChem CID59563759
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3-amino-N-isoquinolin-6-yl-2-(4-methylphenyl)propanamide
SMILESCc1ccc(C(CN)C(=O)Nc2ccc3cnccc3c2)cc1
InChIInChI=1S/C19H19N3O/c1-13-2-4-14(5-3-13)18(11-20)19(23)22-17-7-6-16-12-21-9-8-15(16)10-17/h2-10,12,18H,11,20H2,1H3,(H,22,23)
InChIKeyRYNNRJOFAOTZJJ-UHFFFAOYSA-N
XLogP3.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-isoquinolin-6-yl-2-(4-methylphenyl)propanamide?
The IUPAC name of 3-amino-N-isoquinolin-6-yl-2-(4-methylphenyl)propanamide (CID 59563759) is 3-amino-N-isoquinolin-6-yl-2-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-amino-N-isoquinolin-6-yl-2-(4-methylphenyl)propanamide?
The canonical SMILES for 3-amino-N-isoquinolin-6-yl-2-(4-methylphenyl)propanamide is Cc1ccc(C(CN)C(=O)Nc2ccc3cnccc3c2)cc1.
What is the InChIKey of 3-amino-N-isoquinolin-6-yl-2-(4-methylphenyl)propanamide?
The InChIKey is RYNNRJOFAOTZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-2-4-14(5-3-13)18(11-20)19(23)22-17-7-6-16-12-21-9-8-15(16)10-17/h2-10,12,18H,11,20H2,1H3,(H,22,23).
What are the key properties of 3-amino-N-isoquinolin-6-yl-2-(4-methylphenyl)propanamide?
3-amino-N-isoquinolin-6-yl-2-(4-methylphenyl)propanamide has a molecular weight of 305.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-isoquinolin-6-yl-2-(4-methylphenyl)propanamide is sourced from PubChem (CID 59563759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).