N-[(Z)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxyprop-1-enyl]-2-quinolin-8-yloxyacetamide

C22H21N3O3 — CID 130320453

IUPACN-[(Z)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxyprop-1-enyl]-2-quinolin-8-yloxyacetamide
SMILESO=C(COc1cccc2cccnc12)N/C=C(\O)CN1Cc2ccccc2C1
InChIInChI=1S/C22H21N3O3/c26-19(14-25-12-17-5-1-2-6-18(17)13-25)11-24-21(27)15-28-20-9-3-7-16-8-4-10-23-22(16)20/h1-11,26H,12-15H2,(H,24,27)/b19-11-
InChIKeyJQXJARLVHZYNKD-ODLFYWEKSA-N
MW375.43 g/mol
LogP3.14
Rot. Bonds6

About N-[(Z)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxyprop-1-enyl]-2-quinolin-8-yloxyacetamide

N-[(Z)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxyprop-1-enyl]-2-quinolin-8-yloxyacetamide (PubChem CID 130320453) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[(Z)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxyprop-1-enyl]-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound NameN-[(Z)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxyprop-1-enyl]-2-quinolin-8-yloxyacetamide
PubChem CID130320453
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[(Z)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxyprop-1-enyl]-2-quinolin-8-yloxyacetamide
SMILESO=C(COc1cccc2cccnc12)N/C=C(\O)CN1Cc2ccccc2C1
InChIInChI=1S/C22H21N3O3/c26-19(14-25-12-17-5-1-2-6-18(17)13-25)11-24-21(27)15-28-20-9-3-7-16-8-4-10-23-22(16)20/h1-11,26H,12-15H2,(H,24,27)/b19-11-
InChIKeyJQXJARLVHZYNKD-ODLFYWEKSA-N
XLogP3.14
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N'-(2-quinolin-8-yloxyacetyl)benzohydrazide
CID 2981693
2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid
CID 4029060
1-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]urea
CID 2981274
N-tert-butyl-2-quinolin-8-yloxyacetamide
CID 7893996
N',N'-dimethyl-2-quinolin-8-yloxyacetohydrazide
CID 116820845
1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone
CID 757469
2-quinolin-8-yloxyacetate
CID 6950984
N-(2,2-dimethylpropyl)-2-quinolin-8-yloxyacetamide
CID 99820790
4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde
CID 110850159
N-(2-ethylphenyl)-2-quinolin-8-yloxyacetamide
CID 40655687
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 135627845
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 136817914

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxyprop-1-enyl]-2-quinolin-8-yloxyacetamide?
The IUPAC name of N-[(Z)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxyprop-1-enyl]-2-quinolin-8-yloxyacetamide (CID 130320453) is N-[(Z)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxyprop-1-enyl]-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for N-[(Z)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxyprop-1-enyl]-2-quinolin-8-yloxyacetamide?
The canonical SMILES for N-[(Z)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxyprop-1-enyl]-2-quinolin-8-yloxyacetamide is O=C(COc1cccc2cccnc12)N/C=C(\O)CN1Cc2ccccc2C1.
What is the InChIKey of N-[(Z)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxyprop-1-enyl]-2-quinolin-8-yloxyacetamide?
The InChIKey is JQXJARLVHZYNKD-ODLFYWEKSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-19(14-25-12-17-5-1-2-6-18(17)13-25)11-24-21(27)15-28-20-9-3-7-16-8-4-10-23-22(16)20/h1-11,26H,12-15H2,(H,24,27)/b19-11-.
What are the key properties of N-[(Z)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxyprop-1-enyl]-2-quinolin-8-yloxyacetamide?
N-[(Z)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxyprop-1-enyl]-2-quinolin-8-yloxyacetamide has a molecular weight of 375.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxyprop-1-enyl]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 130320453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).