4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-N-(pyridin-3-ylmethylideneamino)butanamide

C19H20N4O2 — CID 5209307

IUPAC4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-N-(pyridin-3-ylmethylideneamino)butanamide
SMILESO=C(CCC(=O)N1CCCc2ccccc21)NN=Cc1cccnc1
InChIInChI=1S/C19H20N4O2/c24-18(22-21-14-15-5-3-11-20-13-15)9-10-19(25)23-12-4-7-16-6-1-2-8-17(16)23/h1-3,5-6,8,11,13-14H,4,7,9-10,12H2,(H,22,24)
InChIKeyHONXYRAAZCRJRI-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.29
Rot. Bonds5

About 4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-N-(pyridin-3-ylmethylideneamino)butanamide

4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-N-(pyridin-3-ylmethylideneamino)butanamide (PubChem CID 5209307) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-N-(pyridin-3-ylmethylideneamino)butanamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-N-(pyridin-3-ylmethylideneamino)butanamide
PubChem CID5209307
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-N-(pyridin-3-ylmethylideneamino)butanamide
SMILESO=C(CCC(=O)N1CCCc2ccccc21)NN=Cc1cccnc1
InChIInChI=1S/C19H20N4O2/c24-18(22-21-14-15-5-3-11-20-13-15)9-10-19(25)23-12-4-7-16-6-1-2-8-17(16)23/h1-3,5-6,8,11,13-14H,4,7,9-10,12H2,(H,22,24)
InChIKeyHONXYRAAZCRJRI-UHFFFAOYSA-N
XLogP2.29
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.29
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)-N-[(4-ethoxyphenyl)methylideneamino]-4-oxobutanamide
CID 5209302
2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 126202012
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanamide
CID 5253773
N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 4092454
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate
CID 9413223
N-(3,4-dimethylphenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 4039695
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864
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)-4-oxo-N-(pyridin-3-ylmethylideneamino)butanamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-N-(pyridin-3-ylmethylideneamino)butanamide (CID 5209307) is 4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-N-(pyridin-3-ylmethylideneamino)butanamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-N-(pyridin-3-ylmethylideneamino)butanamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-N-(pyridin-3-ylmethylideneamino)butanamide is O=C(CCC(=O)N1CCCc2ccccc21)NN=Cc1cccnc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-N-(pyridin-3-ylmethylideneamino)butanamide?
The InChIKey is HONXYRAAZCRJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18(22-21-14-15-5-3-11-20-13-15)9-10-19(25)23-12-4-7-16-6-1-2-8-17(16)23/h1-3,5-6,8,11,13-14H,4,7,9-10,12H2,(H,22,24).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-N-(pyridin-3-ylmethylideneamino)butanamide?
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-N-(pyridin-3-ylmethylideneamino)butanamide has a molecular weight of 336.40 g/mol, XLogP of 2.29, 5 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)-4-oxo-N-(pyridin-3-ylmethylideneamino)butanamide is sourced from PubChem (CID 5209307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).