3-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylpropanamide

C18H17N3O2 — CID 70833218

IUPAC3-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylpropanamide
SMILESNCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(O)cc1
InChIInChI=1S/C18H17N3O2/c19-10-17(12-2-5-16(22)6-3-12)18(23)21-15-4-1-14-11-20-8-7-13(14)9-15/h1-9,11,17,22H,10,19H2,(H,21,23)
InChIKeyHBCOPUFXVGPTPG-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.62
Rot. Bonds4

About 3-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylpropanamide

3-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylpropanamide (PubChem CID 70833218) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylpropanamide.

Molecular Properties

Compound Name3-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylpropanamide
PubChem CID70833218
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylpropanamide
SMILESNCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(O)cc1
InChIInChI=1S/C18H17N3O2/c19-10-17(12-2-5-16(22)6-3-12)18(23)21-15-4-1-14-11-20-8-7-13(14)9-15/h1-9,11,17,22H,10,19H2,(H,21,23)
InChIKeyHBCOPUFXVGPTPG-UHFFFAOYSA-N
XLogP2.62
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

AR-13324 M1 metabolite
CID 134128281
N-(2-hydroxy-5-phenylphenyl)-4-{[(pyridin-3-ylmethyl)amino]methyl}benzamide
CID 25159049
3-Amino-n-(isoquinolin-6-yl)-2-phenylpropanamide
CID 46183900
3-amino-2-(4-hydroxy-3-methylphenyl)-N-isoquinolin-6-ylpropanamide
CID 59563754
3-Amino-2-(4-(hydroxymethyl)phenyl)-N-(isoquinolin-6-yl)propanamide
CID 59563782
(2S)-3-amino-N-isoquinolin-6-yl-2-phenylpropanamide
CID 127031527
3-amino-N-isoquinolin-6-yl-2-(2-methylphenyl)propanamide
CID 127031536
[4-[3-Amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl] 2-aminoacetate
CID 127030603
[4-[3-Amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl] 2-phenylacetate
CID 46938262
[4-[3-Amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl] benzoate
CID 49820218
[4-[3-Amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl] 2,2-dimethylpropanoate
CID 59563696
3-amino-2-(3-hydroxyphenyl)-N-isoquinolin-6-ylpropanamide
CID 59563769

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylpropanamide?
The IUPAC name of 3-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylpropanamide (CID 70833218) is 3-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylpropanamide.
What is the SMILES notation for 3-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylpropanamide?
The canonical SMILES for 3-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylpropanamide is NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(O)cc1.
What is the InChIKey of 3-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylpropanamide?
The InChIKey is HBCOPUFXVGPTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c19-10-17(12-2-5-16(22)6-3-12)18(23)21-15-4-1-14-11-20-8-7-13(14)9-15/h1-9,11,17,22H,10,19H2,(H,21,23).
What are the key properties of 3-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylpropanamide?
3-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylpropanamide has a molecular weight of 307.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylpropanamide is sourced from PubChem (CID 70833218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).