2-(2,3-dihydro-1H-isoindol-1-yl)-N-isoquinolin-8-ylacetamide

C19H17N3O — CID 166362263

IUPAC2-(2,3-dihydro-1H-isoindol-1-yl)-N-isoquinolin-8-ylacetamide
SMILESO=C(CC1NCc2ccccc21)Nc1cccc2ccncc12
InChIInChI=1S/C19H17N3O/c23-19(10-18-15-6-2-1-4-14(15)11-21-18)22-17-7-3-5-13-8-9-20-12-16(13)17/h1-9,12,18,21H,10-11H2,(H,22,23)
InChIKeyFYRHTRZEUGNUEE-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.41
Rot. Bonds3

About 2-(2,3-dihydro-1H-isoindol-1-yl)-N-isoquinolin-8-ylacetamide

2-(2,3-dihydro-1H-isoindol-1-yl)-N-isoquinolin-8-ylacetamide (PubChem CID 166362263) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-isoindol-1-yl)-N-isoquinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-isoindol-1-yl)-N-isoquinolin-8-ylacetamide
PubChem CID166362263
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-(2,3-dihydro-1H-isoindol-1-yl)-N-isoquinolin-8-ylacetamide
SMILESO=C(CC1NCc2ccccc21)Nc1cccc2ccncc12
InChIInChI=1S/C19H17N3O/c23-19(10-18-15-6-2-1-4-14(15)11-21-18)22-17-7-3-5-13-8-9-20-12-16(13)17/h1-9,12,18,21H,10-11H2,(H,22,23)
InChIKeyFYRHTRZEUGNUEE-UHFFFAOYSA-N
XLogP3.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinolin-8-ylurea
CID 67363282
2-(2,3-dihydro-1H-isoindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 167780536
2-(2,3-dihydro-1H-isoindol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide
CID 166329396
N-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 167745801
2-[2-(isoquinolin-8-ylamino)-2-oxoethyl]benzoic acid
CID 11779892
N-(2-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 5100540
2,2,2-trichloro-N-isoquinolin-8-ylacetamide
CID 22032621
N-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide
CID 103747528
N-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509693
(2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102945466
2-(2,3-dihydro-1H-isoindol-1-yl)-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid
CID 166363393
N-isoquinolin-5-yl-3-sulfanylpropanamide
CID 107023450

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-isoindol-1-yl)-N-isoquinolin-8-ylacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-isoindol-1-yl)-N-isoquinolin-8-ylacetamide (CID 166362263) is 2-(2,3-dihydro-1H-isoindol-1-yl)-N-isoquinolin-8-ylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-isoindol-1-yl)-N-isoquinolin-8-ylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-isoindol-1-yl)-N-isoquinolin-8-ylacetamide is O=C(CC1NCc2ccccc21)Nc1cccc2ccncc12.
What is the InChIKey of 2-(2,3-dihydro-1H-isoindol-1-yl)-N-isoquinolin-8-ylacetamide?
The InChIKey is FYRHTRZEUGNUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c23-19(10-18-15-6-2-1-4-14(15)11-21-18)22-17-7-3-5-13-8-9-20-12-16(13)17/h1-9,12,18,21H,10-11H2,(H,22,23).
What are the key properties of 2-(2,3-dihydro-1H-isoindol-1-yl)-N-isoquinolin-8-ylacetamide?
2-(2,3-dihydro-1H-isoindol-1-yl)-N-isoquinolin-8-ylacetamide has a molecular weight of 303.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-isoindol-1-yl)-N-isoquinolin-8-ylacetamide is sourced from PubChem (CID 166362263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).