3-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide

C21H23N3O — CID 91099751

IUPAC3-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide
SMILESCC(C)NC(c1ccc2cnccc2c1)C(C(N)=O)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-14(2)24-20(19(21(22)25)15-6-4-3-5-7-15)17-8-9-18-13-23-11-10-16(18)12-17/h3-14,19-20,24H,1-2H3,(H2,22,25)
InChIKeyOQBGYXQHSQOQQJ-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.54
Rot. Bonds6

About 3-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide

3-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide (PubChem CID 91099751) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name3-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide
PubChem CID91099751
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name3-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide
SMILESCC(C)NC(c1ccc2cnccc2c1)C(C(N)=O)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-14(2)24-20(19(21(22)25)15-6-4-3-5-7-15)17-8-9-18-13-23-11-10-16(18)12-17/h3-14,19-20,24H,1-2H3,(H2,22,25)
InChIKeyOQBGYXQHSQOQQJ-UHFFFAOYSA-N
XLogP3.54
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-isoquinolin-6-ylpropanamide
CID 66599621
2-isoquinolin-6-ylpropan-1-amine
CID 117280533
N-isoquinolin-6-ylformamide;2-phenylpropan-1-amine
CID 155582866
3-amino-N-isoquinolin-6-yl-2-phenylpropanamide;N-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide;propan-2-one
CID 157431706
N-(2-amino-1-naphthalen-2-ylpropyl)-1,7-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166334049
acetic acid;isoquinoline
CID 66713221
2-isoquinolin-6-yloxypropanoic acid
CID 82580346
1-[isoquinolin-6-yl-(3-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4540574
(2R)-2-naphthalen-2-ylpropanamide
CID 101175106
methyl (2S)-2-(isoquinolin-6-ylmethylamino)propanoate
CID 107037943
3-amino-N-isoquinolin-6-ylpropanamide;ethane
CID 153349000
isoquinoline-6-carboxamide;hydrochloride
CID 143697890

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide?
The IUPAC name of 3-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide (CID 91099751) is 3-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for 3-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide?
The canonical SMILES for 3-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide is CC(C)NC(c1ccc2cnccc2c1)C(C(N)=O)c1ccccc1.
What is the InChIKey of 3-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide?
The InChIKey is OQBGYXQHSQOQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14(2)24-20(19(21(22)25)15-6-4-3-5-7-15)17-8-9-18-13-23-11-10-16(18)12-17/h3-14,19-20,24H,1-2H3,(H2,22,25).
What are the key properties of 3-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide?
3-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide has a molecular weight of 333.44 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 91099751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).