3-amino-N-isoquinolin-6-yl-2-naphthalen-1-ylpropanamide

C22H19N3O — CID 127028823

IUPAC3-amino-N-isoquinolin-6-yl-2-naphthalen-1-ylpropanamide
SMILESNCC(C(=O)Nc1ccc2cnccc2c1)c1cccc2ccccc12
InChIInChI=1S/C22H19N3O/c23-13-21(20-7-3-5-15-4-1-2-6-19(15)20)22(26)25-18-9-8-17-14-24-11-10-16(17)12-18/h1-12,14,21H,13,23H2,(H,25,26)
InChIKeyQSZJTZCAUSDFGT-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.07
Rot. Bonds4

About 3-amino-N-isoquinolin-6-yl-2-naphthalen-1-ylpropanamide

3-amino-N-isoquinolin-6-yl-2-naphthalen-1-ylpropanamide (PubChem CID 127028823) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-amino-N-isoquinolin-6-yl-2-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-amino-N-isoquinolin-6-yl-2-naphthalen-1-ylpropanamide
PubChem CID127028823
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name3-amino-N-isoquinolin-6-yl-2-naphthalen-1-ylpropanamide
SMILESNCC(C(=O)Nc1ccc2cnccc2c1)c1cccc2ccccc12
InChIInChI=1S/C22H19N3O/c23-13-21(20-7-3-5-15-4-1-2-6-19(15)20)22(26)25-18-9-8-17-14-24-11-10-16(17)12-18/h1-12,14,21H,13,23H2,(H,25,26)
InChIKeyQSZJTZCAUSDFGT-UHFFFAOYSA-N
XLogP4.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.07
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-naphthalen-1-ylpropanamide?
The IUPAC name of 3-amino-N-isoquinolin-6-yl-2-naphthalen-1-ylpropanamide (CID 127028823) is 3-amino-N-isoquinolin-6-yl-2-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-amino-N-isoquinolin-6-yl-2-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-amino-N-isoquinolin-6-yl-2-naphthalen-1-ylpropanamide is NCC(C(=O)Nc1ccc2cnccc2c1)c1cccc2ccccc12.
What is the InChIKey of 3-amino-N-isoquinolin-6-yl-2-naphthalen-1-ylpropanamide?
The InChIKey is QSZJTZCAUSDFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c23-13-21(20-7-3-5-15-4-1-2-6-19(15)20)22(26)25-18-9-8-17-14-24-11-10-16(17)12-18/h1-12,14,21H,13,23H2,(H,25,26).
What are the key properties of 3-amino-N-isoquinolin-6-yl-2-naphthalen-1-ylpropanamide?
3-amino-N-isoquinolin-6-yl-2-naphthalen-1-ylpropanamide has a molecular weight of 341.41 g/mol, XLogP of 4.07, 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-naphthalen-1-ylpropanamide is sourced from PubChem (CID 127028823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).