N-[1-(2-quinolin-8-yloxyacetyl)-3,4-dihydro-2H-quinolin-3-yl]acetamide

C22H21N3O3 — CID 154806574

IUPACN-[1-(2-quinolin-8-yloxyacetyl)-3,4-dihydro-2H-quinolin-3-yl]acetamide
SMILESCC(=O)NC1Cc2ccccc2N(C(=O)COc2cccc3cccnc23)C1
InChIInChI=1S/C22H21N3O3/c1-15(26)24-18-12-17-6-2-3-9-19(17)25(13-18)21(27)14-28-20-10-4-7-16-8-5-11-23-22(16)20/h2-11,18H,12-14H2,1H3,(H,24,26)
InChIKeyMIHUOINZMNIJPS-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.71
Rot. Bonds4

About N-[1-(2-quinolin-8-yloxyacetyl)-3,4-dihydro-2H-quinolin-3-yl]acetamide

N-[1-(2-quinolin-8-yloxyacetyl)-3,4-dihydro-2H-quinolin-3-yl]acetamide (PubChem CID 154806574) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[1-(2-quinolin-8-yloxyacetyl)-3,4-dihydro-2H-quinolin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-quinolin-8-yloxyacetyl)-3,4-dihydro-2H-quinolin-3-yl]acetamide
PubChem CID154806574
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[1-(2-quinolin-8-yloxyacetyl)-3,4-dihydro-2H-quinolin-3-yl]acetamide
SMILESCC(=O)NC1Cc2ccccc2N(C(=O)COc2cccc3cccnc23)C1
InChIInChI=1S/C22H21N3O3/c1-15(26)24-18-12-17-6-2-3-9-19(17)25(13-18)21(27)14-28-20-10-4-7-16-8-5-11-23-22(16)20/h2-11,18H,12-14H2,1H3,(H,24,26)
InChIKeyMIHUOINZMNIJPS-UHFFFAOYSA-N
XLogP2.71
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone
CID 757469
tert-butyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate
CID 57347305
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
CID 99838467
4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde
CID 110850159
1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
CID 110849960
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(quinolin-8-ylamino)ethanone
CID 109010975
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
CID 110855024
2-quinolin-8-yloxyacetate
CID 6950984
N-(2,2-dimethylpropyl)-2-quinolin-8-yloxyacetamide
CID 99820790
oxolan-2-ylmethyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate
CID 166200594
N',N'-dimethyl-2-quinolin-8-yloxyacetohydrazide
CID 116820845
N-tert-butyl-2-quinolin-8-yloxyacetamide
CID 7893996

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-quinolin-8-yloxyacetyl)-3,4-dihydro-2H-quinolin-3-yl]acetamide?
The IUPAC name of N-[1-(2-quinolin-8-yloxyacetyl)-3,4-dihydro-2H-quinolin-3-yl]acetamide (CID 154806574) is N-[1-(2-quinolin-8-yloxyacetyl)-3,4-dihydro-2H-quinolin-3-yl]acetamide.
What is the SMILES notation for N-[1-(2-quinolin-8-yloxyacetyl)-3,4-dihydro-2H-quinolin-3-yl]acetamide?
The canonical SMILES for N-[1-(2-quinolin-8-yloxyacetyl)-3,4-dihydro-2H-quinolin-3-yl]acetamide is CC(=O)NC1Cc2ccccc2N(C(=O)COc2cccc3cccnc23)C1.
What is the InChIKey of N-[1-(2-quinolin-8-yloxyacetyl)-3,4-dihydro-2H-quinolin-3-yl]acetamide?
The InChIKey is MIHUOINZMNIJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15(26)24-18-12-17-6-2-3-9-19(17)25(13-18)21(27)14-28-20-10-4-7-16-8-5-11-23-22(16)20/h2-11,18H,12-14H2,1H3,(H,24,26).
What are the key properties of N-[1-(2-quinolin-8-yloxyacetyl)-3,4-dihydro-2H-quinolin-3-yl]acetamide?
N-[1-(2-quinolin-8-yloxyacetyl)-3,4-dihydro-2H-quinolin-3-yl]acetamide has a molecular weight of 375.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-quinolin-8-yloxyacetyl)-3,4-dihydro-2H-quinolin-3-yl]acetamide is sourced from PubChem (CID 154806574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).