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

C16H18N4O — CID 162353391

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-N-pyridazin-3-ylpropanamide
SMILESO=C(CCN1CCCc2ccccc21)Nc1cccnn1
InChIInChI=1S/C16H18N4O/c21-16(18-15-8-3-10-17-19-15)9-12-20-11-4-6-13-5-1-2-7-14(13)20/h1-3,5,7-8,10H,4,6,9,11-12H2,(H,18,19,21)
InChIKeyBFXWIESZWHPGNR-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.26
Rot. Bonds4

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

3-(3,4-dihydro-2H-quinolin-1-yl)-N-pyridazin-3-ylpropanamide (PubChem CID 162353391) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-pyridazin-3-ylpropanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-pyridazin-3-ylpropanamide
PubChem CID162353391
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-pyridazin-3-ylpropanamide
SMILESO=C(CCN1CCCc2ccccc21)Nc1cccnn1
InChIInChI=1S/C16H18N4O/c21-16(18-15-8-3-10-17-19-15)9-12-20-11-4-6-13-5-1-2-7-14(13)20/h1-3,5,7-8,10H,4,6,9,11-12H2,(H,18,19,21)
InChIKeyBFXWIESZWHPGNR-UHFFFAOYSA-N
XLogP2.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7422380
N-(3-(6-(4-methylpiperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7422384
N-(3-(6-(4-methylpiperazin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7593164
N-(4-(6-(4-methylpiperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7593463
[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyridazin-3-ylpiperidin-4-yl)methanone
CID 134521326
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 162353383
4-(4-Methyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
CID 44396060
N-(4-(6-(4-methylpiperazin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7593428
N-(4-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7593476
4-Pyridazin-3-yl-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
CID 44396115
4-(5-Methyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
CID 44396150
3-(2-Fluorophenyl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 53591470

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-pyridazin-3-ylpropanamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-pyridazin-3-ylpropanamide (CID 162353391) is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-pyridazin-3-ylpropanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-pyridazin-3-ylpropanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-pyridazin-3-ylpropanamide is O=C(CCN1CCCc2ccccc21)Nc1cccnn1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-pyridazin-3-ylpropanamide?
The InChIKey is BFXWIESZWHPGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(18-15-8-3-10-17-19-15)9-12-20-11-4-6-13-5-1-2-7-14(13)20/h1-3,5,7-8,10H,4,6,9,11-12H2,(H,18,19,21).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-pyridazin-3-ylpropanamide?
3-(3,4-dihydro-2H-quinolin-1-yl)-N-pyridazin-3-ylpropanamide has a molecular weight of 282.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-pyridazin-3-ylpropanamide is sourced from PubChem (CID 162353391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).