3-amino-N-isoquinolin-6-yl-2-phenylpropanamide

C18H17N3O — CID 46183900

IUPAC3-amino-N-isoquinolin-6-yl-2-phenylpropanamide
SMILESNCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1
InChIInChI=1S/C18H17N3O/c19-11-17(13-4-2-1-3-5-13)18(22)21-16-7-6-15-12-20-9-8-14(15)10-16/h1-10,12,17H,11,19H2,(H,21,22)
InChIKeyGRFHEJWFORZSDZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.92
Rot. Bonds4

About 3-amino-N-isoquinolin-6-yl-2-phenylpropanamide

3-amino-N-isoquinolin-6-yl-2-phenylpropanamide (PubChem CID 46183900) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-amino-N-isoquinolin-6-yl-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-isoquinolin-6-yl-2-phenylpropanamide
PubChem CID46183900
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name3-amino-N-isoquinolin-6-yl-2-phenylpropanamide
SMILESNCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1
InChIInChI=1S/C18H17N3O/c19-11-17(13-4-2-1-3-5-13)18(22)21-16-7-6-15-12-20-9-8-14(15)10-16/h1-10,12,17H,11,19H2,(H,21,22)
InChIKeyGRFHEJWFORZSDZ-UHFFFAOYSA-N
XLogP2.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.92
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-phenylpropanamide?
The IUPAC name of 3-amino-N-isoquinolin-6-yl-2-phenylpropanamide (CID 46183900) is 3-amino-N-isoquinolin-6-yl-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-isoquinolin-6-yl-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-isoquinolin-6-yl-2-phenylpropanamide is NCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1.
What is the InChIKey of 3-amino-N-isoquinolin-6-yl-2-phenylpropanamide?
The InChIKey is GRFHEJWFORZSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c19-11-17(13-4-2-1-3-5-13)18(22)21-16-7-6-15-12-20-9-8-14(15)10-16/h1-10,12,17H,11,19H2,(H,21,22).
What are the key properties of 3-amino-N-isoquinolin-6-yl-2-phenylpropanamide?
3-amino-N-isoquinolin-6-yl-2-phenylpropanamide has a molecular weight of 291.35 g/mol, XLogP of 2.92, 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-phenylpropanamide is sourced from PubChem (CID 46183900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).