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

C22H19N3O — CID 127028824

IUPAC3-amino-N-isoquinolin-6-yl-2-naphthalen-2-ylpropanamide
SMILESNCC(C(=O)Nc1ccc2cnccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C22H19N3O/c23-13-21(18-6-5-15-3-1-2-4-16(15)11-18)22(26)25-20-8-7-19-14-24-10-9-17(19)12-20/h1-12,14,21H,13,23H2,(H,25,26)
InChIKeyCLNVSEUDXHVTTH-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.07
Rot. Bonds4

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

3-amino-N-isoquinolin-6-yl-2-naphthalen-2-ylpropanamide (PubChem CID 127028824) 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-2-ylpropanamide.

Molecular Properties

Compound Name3-amino-N-isoquinolin-6-yl-2-naphthalen-2-ylpropanamide
PubChem CID127028824
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name3-amino-N-isoquinolin-6-yl-2-naphthalen-2-ylpropanamide
SMILESNCC(C(=O)Nc1ccc2cnccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C22H19N3O/c23-13-21(18-6-5-15-3-1-2-4-16(15)11-18)22(26)25-20-8-7-19-14-24-10-9-17(19)12-20/h1-12,14,21H,13,23H2,(H,25,26)
InChIKeyCLNVSEUDXHVTTH-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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Related Compounds

Amesergide
CID 9821951
AR-13324 M1 metabolite
CID 134128281
4-methyl-3-(2-(quinolin-3-yl)ethynyl)-N-(3-(trifluoromethyl)-phenyl)benzamide
CID 16109040
6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one
CID 25147692
2-(4-(2-Methylpyridin-4-yl)phenyl)-N-(4-(pyridin-3-yl)phenyl)acetamide
CID 57519544
(S)-2-((S)-3-isobutyl-2,5-dioxo-4-quinolin-3-ylmethyl-[1,4]diazepan-1yl)-N-methyl-3-naphtalen-2-yl-propionamide
CID 5326914
(2r)-2-[(1-Aminoisoquinolin-6-Yl)amino]-4,11-Diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-Hexaene-3,12-Dione
CID 57842673
2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one
CID 135567454
6-Isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2(1H)-one
CID 25147691
3-Amino-n-(isoquinolin-6-yl)-2-phenylpropanamide
CID 46183900
3-amino-2-(4-fluorophenyl)-N-isoquinolin-6-ylpropanamide
CID 46184600
US10251893, Cpd 50
CID 58447907

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-isoquinolin-6-yl-2-naphthalen-2-ylpropanamide?
The IUPAC name of 3-amino-N-isoquinolin-6-yl-2-naphthalen-2-ylpropanamide (CID 127028824) is 3-amino-N-isoquinolin-6-yl-2-naphthalen-2-ylpropanamide.
What is the SMILES notation for 3-amino-N-isoquinolin-6-yl-2-naphthalen-2-ylpropanamide?
The canonical SMILES for 3-amino-N-isoquinolin-6-yl-2-naphthalen-2-ylpropanamide is NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 3-amino-N-isoquinolin-6-yl-2-naphthalen-2-ylpropanamide?
The InChIKey is CLNVSEUDXHVTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c23-13-21(18-6-5-15-3-1-2-4-16(15)11-18)22(26)25-20-8-7-19-14-24-10-9-17(19)12-20/h1-12,14,21H,13,23H2,(H,25,26).
What are the key properties of 3-amino-N-isoquinolin-6-yl-2-naphthalen-2-ylpropanamide?
3-amino-N-isoquinolin-6-yl-2-naphthalen-2-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-2-ylpropanamide is sourced from PubChem (CID 127028824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).