3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide

C21H19N3O2 — CID 108953424

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide
SMILESO=C(CC(=O)N1CCCc2ccccc21)Nc1cccc2cccnc12
InChIInChI=1S/C21H19N3O2/c25-19(23-17-10-3-7-16-8-4-12-22-21(16)17)14-20(26)24-13-5-9-15-6-1-2-11-18(15)24/h1-4,6-8,10-12H,5,9,13-14H2,(H,23,25)
InChIKeyOAYQHZZAJZASTG-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.54
Rot. Bonds3

About 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide

3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide (PubChem CID 108953424) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide
PubChem CID108953424
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide
SMILESO=C(CC(=O)N1CCCc2ccccc21)Nc1cccc2cccnc12
InChIInChI=1S/C21H19N3O2/c25-19(23-17-10-3-7-16-8-4-12-22-21(16)17)14-20(26)24-13-5-9-15-6-1-2-11-18(15)24/h1-4,6-8,10-12H,5,9,13-14H2,(H,23,25)
InChIKeyOAYQHZZAJZASTG-UHFFFAOYSA-N
XLogP3.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 108953400
2-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109176563
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide
CID 108953370
1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone
CID 757469
S-[2-oxo-2-(quinolin-8-ylamino)ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate;1,1,1-trifluoropropan-2-one
CID 24876884
ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate
CID 108950376
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-quinolin-8-ylacetamide
CID 24653426
2,3-dihydroindol-1-yl-[4-(quinolin-8-ylamino)-2-pyridinyl]methanone
CID 109219565
3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide
CID 108952272
N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 108953408
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283
N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953344

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide (CID 108953424) is 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide is O=C(CC(=O)N1CCCc2ccccc21)Nc1cccc2cccnc12.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide?
The InChIKey is OAYQHZZAJZASTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-19(23-17-10-3-7-16-8-4-12-22-21(16)17)14-20(26)24-13-5-9-15-6-1-2-11-18(15)24/h1-4,6-8,10-12H,5,9,13-14H2,(H,23,25).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide?
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide has a molecular weight of 345.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 108953424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).