2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide

C17H20N4O — CID 135763363

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CN1CCCc2ccccc21)c1ccc[nH]1
InChIInChI=1S/C17H20N4O/c1-13(15-8-4-10-18-15)19-20-17(22)12-21-11-5-7-14-6-2-3-9-16(14)21/h2-4,6,8-10,18H,5,7,11-12H2,1H3,(H,20,22)/b19-13+
InChIKeySBSQEQURNUDAIX-CPNJWEJPSA-N
MW296.37 g/mol
LogP2.31
Rot. Bonds4

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide (PubChem CID 135763363) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide
PubChem CID135763363
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CN1CCCc2ccccc21)c1ccc[nH]1
InChIInChI=1S/C17H20N4O/c1-13(15-8-4-10-18-15)19-20-17(22)12-21-11-5-7-14-6-2-3-9-16(14)21/h2-4,6,8-10,18H,5,7,11-12H2,1H3,(H,20,22)/b19-13+
InChIKeySBSQEQURNUDAIX-CPNJWEJPSA-N
XLogP2.31
TPSA60.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
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

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 9258315
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-pentan-2-ylideneamino]acetamide
CID 9258094
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 9258468
2-(2-oxo-1-pyridinyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide
CID 135702535
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 4092454
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
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994643
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-methylthiourea
CID 8659375
N-cyclohexyl-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686666

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide (CID 135763363) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide is C/C(=N\NC(=O)CN1CCCc2ccccc21)c1ccc[nH]1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide?
The InChIKey is SBSQEQURNUDAIX-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13(15-8-4-10-18-15)19-20-17(22)12-21-11-5-7-14-6-2-3-9-16(14)21/h2-4,6,8-10,18H,5,7,11-12H2,1H3,(H,20,22)/b19-13+.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide has a molecular weight of 296.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide is sourced from PubChem (CID 135763363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).