4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-ethoxyphenyl)methylideneamino]-4-oxobutanamide

C22H25N3O3 — CID 5209302

IUPAC4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-ethoxyphenyl)methylideneamino]-4-oxobutanamide
SMILESCCOc1ccc(C=NNC(=O)CCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C22H25N3O3/c1-2-28-19-11-9-17(10-12-19)16-23-24-21(26)13-14-22(27)25-15-5-7-18-6-3-4-8-20(18)25/h3-4,6,8-12,16H,2,5,7,13-15H2,1H3,(H,24,26)
InChIKeyAVFUGMIJEVYTMS-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.30
Rot. Bonds7

About 4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-ethoxyphenyl)methylideneamino]-4-oxobutanamide

4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-ethoxyphenyl)methylideneamino]-4-oxobutanamide (PubChem CID 5209302) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-ethoxyphenyl)methylideneamino]-4-oxobutanamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-ethoxyphenyl)methylideneamino]-4-oxobutanamide
PubChem CID5209302
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-ethoxyphenyl)methylideneamino]-4-oxobutanamide
SMILESCCOc1ccc(C=NNC(=O)CCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C22H25N3O3/c1-2-28-19-11-9-17(10-12-19)16-23-24-21(26)13-14-22(27)25-15-5-7-18-6-3-4-8-20(18)25/h3-4,6,8-12,16H,2,5,7,13-15H2,1H3,(H,24,26)
InChIKeyAVFUGMIJEVYTMS-UHFFFAOYSA-N
XLogP3.30
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-ylmethylideneamino)-4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanamide
CID 5209504
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-N-(pyridin-3-ylmethylideneamino)butanamide
CID 5209307
1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 78781598
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanamide
CID 5253773
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 7955819
N-[(E)-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]phenyl]methylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 146023076
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide
CID 9258499
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
CID 98296453
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone
CID 54825851
N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 4092454
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one
CID 8024233
4-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 9258347

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-ethoxyphenyl)methylideneamino]-4-oxobutanamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-ethoxyphenyl)methylideneamino]-4-oxobutanamide (CID 5209302) is 4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-ethoxyphenyl)methylideneamino]-4-oxobutanamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-ethoxyphenyl)methylideneamino]-4-oxobutanamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-ethoxyphenyl)methylideneamino]-4-oxobutanamide is CCOc1ccc(C=NNC(=O)CCC(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-ethoxyphenyl)methylideneamino]-4-oxobutanamide?
The InChIKey is AVFUGMIJEVYTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-2-28-19-11-9-17(10-12-19)16-23-24-21(26)13-14-22(27)25-15-5-7-18-6-3-4-8-20(18)25/h3-4,6,8-12,16H,2,5,7,13-15H2,1H3,(H,24,26).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-ethoxyphenyl)methylideneamino]-4-oxobutanamide?
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-ethoxyphenyl)methylideneamino]-4-oxobutanamide has a molecular weight of 379.46 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-ethoxyphenyl)methylideneamino]-4-oxobutanamide is sourced from PubChem (CID 5209302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).