N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide

C18H19N3O — CID 4092454

IUPACN-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESO=C(CN1CCCc2ccccc21)NN=Cc1ccccc1
InChIInChI=1S/C18H19N3O/c22-18(20-19-13-15-7-2-1-3-8-15)14-21-12-6-10-16-9-4-5-11-17(16)21/h1-5,7-9,11,13H,6,10,12,14H2,(H,20,22)
InChIKeyQLCMOIXVRLCDSZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.59
Rot. Bonds4

About N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide

N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 4092454) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID4092454
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESO=C(CN1CCCc2ccccc21)NN=Cc1ccccc1
InChIInChI=1S/C18H19N3O/c22-18(20-19-13-15-7-2-1-3-8-15)14-21-12-6-10-16-9-4-5-11-17(16)21/h1-5,7-9,11,13H,6,10,12,14H2,(H,20,22)
InChIKeyQLCMOIXVRLCDSZ-UHFFFAOYSA-N
XLogP2.59
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 9258347
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide
CID 9258499
2-[2-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 9258441
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide
CID 9148353
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid
CID 28866702
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-pentan-2-ylideneamino]acetamide
CID 9258094
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 9258036
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
N-cyclohexyl-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686666
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 4092454) is N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is O=C(CN1CCCc2ccccc21)NN=Cc1ccccc1.
What is the InChIKey of N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is QLCMOIXVRLCDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c22-18(20-19-13-15-7-2-1-3-8-15)14-21-12-6-10-16-9-4-5-11-17(16)21/h1-5,7-9,11,13H,6,10,12,14H2,(H,20,22).
What are the key properties of N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 293.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 4092454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).