N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-2-naphthalen-1-ylacetamide

C24H22N2O3 — CID 59515649

IUPACN-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-2-naphthalen-1-ylacetamide
SMILESCC(O)Cn1ccc2c(NC(=O)Cc3cccc4ccccc34)cccc2c1=O
InChIInChI=1S/C24H22N2O3/c1-16(27)15-26-13-12-20-21(24(26)29)10-5-11-22(20)25-23(28)14-18-8-4-7-17-6-2-3-9-19(17)18/h2-13,16,27H,14-15H2,1H3,(H,25,28)
InChIKeyGSRPFJJIVYRRQI-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.72
Rot. Bonds5

About N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-2-naphthalen-1-ylacetamide

N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-2-naphthalen-1-ylacetamide (PubChem CID 59515649) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-2-naphthalen-1-ylacetamide
PubChem CID59515649
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-2-naphthalen-1-ylacetamide
SMILESCC(O)Cn1ccc2c(NC(=O)Cc3cccc4ccccc34)cccc2c1=O
InChIInChI=1S/C24H22N2O3/c1-16(27)15-26-13-12-20-21(24(26)29)10-5-11-22(20)25-23(28)14-18-8-4-7-17-6-2-3-9-19(17)18/h2-13,16,27H,14-15H2,1H3,(H,25,28)
InChIKeyGSRPFJJIVYRRQI-UHFFFAOYSA-N
XLogP3.72
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-3,5-dimethylbenzamide
CID 52913125
N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-2,3-dimethylbenzamide
CID 59515866
2-chloro-N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-3-methylbenzamide
CID 59515904
3-(1,3-dioxol-4-yl)-N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-4-phenylbutanamide
CID 67088202
N-(2-ethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228282
2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide
CID 24760068
N-(2,3-dimethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228165
N-(2-bromophenyl)-2-naphthalen-1-ylacetamide
CID 835456
2-(4-methoxyphenyl)-N-[2-(2-nitroethyl)-1-oxoisoquinolin-5-yl]acetamide
CID 143544514
2-[5-[[2-(4-cyanophenyl)acetyl]amino]-1-oxoisoquinolin-2-yl]propanamide
CID 67087960
(2R)-2-[5-[[2-(4-cyanophenyl)acetyl]amino]-1-oxoisoquinolin-2-yl]propanamide
CID 59515908
N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-2-(3,5-dimethylphenyl)acetamide
CID 59579540

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-2-naphthalen-1-ylacetamide (CID 59515649) is N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-2-naphthalen-1-ylacetamide is CC(O)Cn1ccc2c(NC(=O)Cc3cccc4ccccc34)cccc2c1=O.
What is the InChIKey of N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-2-naphthalen-1-ylacetamide?
The InChIKey is GSRPFJJIVYRRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-16(27)15-26-13-12-20-21(24(26)29)10-5-11-22(20)25-23(28)14-18-8-4-7-17-6-2-3-9-19(17)18/h2-13,16,27H,14-15H2,1H3,(H,25,28).
What are the key properties of N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-2-naphthalen-1-ylacetamide?
N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 386.45 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 59515649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).