N-(2-methylquinolin-4-yl)-2-(6-oxopyridazin-1-yl)propanamide

C17H16N4O2 — CID 121079728

IUPACN-(2-methylquinolin-4-yl)-2-(6-oxopyridazin-1-yl)propanamide
SMILESCc1cc(NC(=O)C(C)n2ncccc2=O)c2ccccc2n1
InChIInChI=1S/C17H16N4O2/c1-11-10-15(13-6-3-4-7-14(13)19-11)20-17(23)12(2)21-16(22)8-5-9-18-21/h3-10,12H,1-2H3,(H,19,20,23)
InChIKeyKKDUTFUZUNREMP-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.30
Rot. Bonds3

About N-(2-methylquinolin-4-yl)-2-(6-oxopyridazin-1-yl)propanamide

N-(2-methylquinolin-4-yl)-2-(6-oxopyridazin-1-yl)propanamide (PubChem CID 121079728) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(2-methylquinolin-4-yl)-2-(6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylquinolin-4-yl)-2-(6-oxopyridazin-1-yl)propanamide
PubChem CID121079728
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(2-methylquinolin-4-yl)-2-(6-oxopyridazin-1-yl)propanamide
SMILESCc1cc(NC(=O)C(C)n2ncccc2=O)c2ccccc2n1
InChIInChI=1S/C17H16N4O2/c1-11-10-15(13-6-3-4-7-14(13)19-11)20-17(23)12(2)21-16(22)8-5-9-18-21/h3-10,12H,1-2H3,(H,19,20,23)
InChIKeyKKDUTFUZUNREMP-UHFFFAOYSA-N
XLogP2.30
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868310
(2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868316
(2R)-N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868313
N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 45497099
(2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide
CID 61148862
N-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079717
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
5-amino-2-methyl-N-(2-methylquinolin-4-yl)pentanamide
CID 104683446
[1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 23744799
N-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079706
N-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079674
2-[(2-methylquinolin-4-yl)amino]propanoic acid
CID 43525417

Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-4-yl)-2-(6-oxopyridazin-1-yl)propanamide?
The IUPAC name of N-(2-methylquinolin-4-yl)-2-(6-oxopyridazin-1-yl)propanamide (CID 121079728) is N-(2-methylquinolin-4-yl)-2-(6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for N-(2-methylquinolin-4-yl)-2-(6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for N-(2-methylquinolin-4-yl)-2-(6-oxopyridazin-1-yl)propanamide is Cc1cc(NC(=O)C(C)n2ncccc2=O)c2ccccc2n1.
What is the InChIKey of N-(2-methylquinolin-4-yl)-2-(6-oxopyridazin-1-yl)propanamide?
The InChIKey is KKDUTFUZUNREMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-10-15(13-6-3-4-7-14(13)19-11)20-17(23)12(2)21-16(22)8-5-9-18-21/h3-10,12H,1-2H3,(H,19,20,23).
What are the key properties of N-(2-methylquinolin-4-yl)-2-(6-oxopyridazin-1-yl)propanamide?
N-(2-methylquinolin-4-yl)-2-(6-oxopyridazin-1-yl)propanamide has a molecular weight of 308.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-4-yl)-2-(6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 121079728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).