4-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylbutanamide

C19H19N3O2 — CID 59563818

IUPAC4-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylbutanamide
SMILESNCCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(O)cc1
InChIInChI=1S/C19H19N3O2/c20-9-7-18(13-2-5-17(23)6-3-13)19(24)22-16-4-1-15-12-21-10-8-14(15)11-16/h1-6,8,10-12,18,23H,7,9,20H2,(H,22,24)
InChIKeyMJJZNYSHFIPOME-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.01
Rot. Bonds5

About 4-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylbutanamide

4-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylbutanamide (PubChem CID 59563818) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylbutanamide.

Molecular Properties

Compound Name4-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylbutanamide
PubChem CID59563818
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylbutanamide
SMILESNCCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(O)cc1
InChIInChI=1S/C19H19N3O2/c20-9-7-18(13-2-5-17(23)6-3-13)19(24)22-16-4-1-15-12-21-10-8-14(15)11-16/h1-6,8,10-12,18,23H,7,9,20H2,(H,22,24)
InChIKeyMJJZNYSHFIPOME-UHFFFAOYSA-N
XLogP3.01
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-amino-2-(4-chlorophenyl)-N-isoquinolin-6-ylpropanamide
CID 86270792
5-amino-3-(4-hydroxyphenyl)-1-isoquinolin-6-ylpentan-2-one
CID 146602977
(2R)-3-amino-2-[4-(hydroxymethyl)phenyl]-N-isoquinolin-6-ylpropanamide
CID 139553989
[4-[3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]boronic acid
CID 155582908
tert-butyl N-[(2R)-2-(4-hydroxyphenyl)-3-(isoquinolin-6-ylamino)-3-oxopropyl]carbamate
CID 122468504
3-amino-2-(4-hydroxy-3-methylphenyl)-N-isoquinolin-6-ylpropanamide
CID 59563754
3-amino-N-isoquinolin-6-yl-2-(4-phenylmethoxyphenyl)propanamide
CID 127030602
[4-[(2S)-1-(isoquinolin-6-ylamino)-1-oxobutan-2-yl]phenyl]methyl acetate;methane
CID 159006594
3-amino-2-(2,4-dichlorophenyl)-N-isoquinolin-6-ylpropanamide
CID 127031535
6-[[4-[(2S)-3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methoxy]-6-oxohexanoic acid
CID 170945767
4-amino-N-cinnolin-6-yl-2-phenylbutanamide
CID 67950451
[4-[3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]-2-(methoxymethyl)phenyl]boronic acid
CID 174027290

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylbutanamide?
The IUPAC name of 4-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylbutanamide (CID 59563818) is 4-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylbutanamide.
What is the SMILES notation for 4-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylbutanamide?
The canonical SMILES for 4-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylbutanamide is NCCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(O)cc1.
What is the InChIKey of 4-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylbutanamide?
The InChIKey is MJJZNYSHFIPOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c20-9-7-18(13-2-5-17(23)6-3-13)19(24)22-16-4-1-15-12-21-10-8-14(15)11-16/h1-6,8,10-12,18,23H,7,9,20H2,(H,22,24).
What are the key properties of 4-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylbutanamide?
4-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylbutanamide has a molecular weight of 321.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylbutanamide is sourced from PubChem (CID 59563818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).