4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide

C17H16N4O2 — CID 132575924

IUPAC4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide
SMILESO=C(CCCn1ncccc1=O)Nc1cccc2cccnc12
InChIInChI=1S/C17H16N4O2/c22-15(8-4-12-21-16(23)9-3-11-19-21)20-14-7-1-5-13-6-2-10-18-17(13)14/h1-3,5-7,9-11H,4,8,12H2,(H,20,22)
InChIKeyKRSPOGFZHIRIGH-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.21
Rot. Bonds5

About 4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide

4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide (PubChem CID 132575924) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide.

Molecular Properties

Compound Name4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide
PubChem CID132575924
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide
SMILESO=C(CCCn1ncccc1=O)Nc1cccc2cccnc12
InChIInChI=1S/C17H16N4O2/c22-15(8-4-12-21-16(23)9-3-11-19-21)20-14-7-1-5-13-6-2-10-18-17(13)14/h1-3,5-7,9-11H,4,8,12H2,(H,20,22)
InChIKeyKRSPOGFZHIRIGH-UHFFFAOYSA-N
XLogP2.21
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-quinolin-8-ylundecanamide
CID 3567928
2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide
CID 47035823
3-(1-methylimidazol-2-yl)sulfanyl-N-quinolin-8-ylpropanamide
CID 47074240
N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
CID 62848889
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
(E)-5-(1-methylpyrrol-2-yl)-N-quinolin-8-ylpent-4-enamide
CID 155797476
N-quinolin-8-yl-6-(sulfamoylamino)hexanamide
CID 25216936
N-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide
CID 134160169
2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029
(9Z,12Z)-N-quinolin-8-yloctadeca-9,12-dienamide
CID 162681596
tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate
CID 51217671

Frequently Asked Questions

What is the IUPAC name of 4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide?
The IUPAC name of 4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide (CID 132575924) is 4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide.
What is the SMILES notation for 4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide?
The canonical SMILES for 4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide is O=C(CCCn1ncccc1=O)Nc1cccc2cccnc12.
What is the InChIKey of 4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide?
The InChIKey is KRSPOGFZHIRIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-15(8-4-12-21-16(23)9-3-11-19-21)20-14-7-1-5-13-6-2-10-18-17(13)14/h1-3,5-7,9-11H,4,8,12H2,(H,20,22).
What are the key properties of 4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide?
4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide has a molecular weight of 308.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide is sourced from PubChem (CID 132575924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).