(2-methylquinolin-6-yl)-pyridazin-4-ylmethanone

C15H11N3O — CID 105121470

IUPAC(2-methylquinolin-6-yl)-pyridazin-4-ylmethanone
SMILESCc1ccc2cc(C(=O)c3ccnnc3)ccc2n1
InChIInChI=1S/C15H11N3O/c1-10-2-3-11-8-12(4-5-14(11)18-10)15(19)13-6-7-16-17-9-13/h2-9H,1H3
InChIKeyGULAYXRGJFMDNQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.56
Rot. Bonds2

About (2-methylquinolin-6-yl)-pyridazin-4-ylmethanone

(2-methylquinolin-6-yl)-pyridazin-4-ylmethanone (PubChem CID 105121470) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is (2-methylquinolin-6-yl)-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name(2-methylquinolin-6-yl)-pyridazin-4-ylmethanone
PubChem CID105121470
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name(2-methylquinolin-6-yl)-pyridazin-4-ylmethanone
SMILESCc1ccc2cc(C(=O)c3ccnnc3)ccc2n1
InChIInChI=1S/C15H11N3O/c1-10-2-3-11-8-12(4-5-14(11)18-10)15(19)13-6-7-16-17-9-13/h2-9H,1H3
InChIKeyGULAYXRGJFMDNQ-UHFFFAOYSA-N
XLogP2.56
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-iodophenyl)-(2-methylquinolin-6-yl)methanone
CID 115790394
(3-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 81216684
(3-chloro-4-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 115790445
(2-methylquinolin-6-yl)-thiophen-3-ylmethanone
CID 81216754
(3-chloro-5-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 115790335
(1-methylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanone
CID 81221022
(3-methyl-2-pyridinyl)-(2-methylquinolin-6-yl)methanone
CID 81220178
(2-methylquinolin-6-yl)-pyrimidin-4-ylmethanone
CID 81219966
(3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone
CID 107561470
2-hydroxy-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one
CID 103446086
2-amino-1-(2-methylquinolin-6-yl)propan-1-one
CID 116551720
(2-methylquinolin-6-yl)-pyridazin-4-ylmethanol
CID 105118439

Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-6-yl)-pyridazin-4-ylmethanone?
The IUPAC name of (2-methylquinolin-6-yl)-pyridazin-4-ylmethanone (CID 105121470) is (2-methylquinolin-6-yl)-pyridazin-4-ylmethanone.
What is the SMILES notation for (2-methylquinolin-6-yl)-pyridazin-4-ylmethanone?
The canonical SMILES for (2-methylquinolin-6-yl)-pyridazin-4-ylmethanone is Cc1ccc2cc(C(=O)c3ccnnc3)ccc2n1.
What is the InChIKey of (2-methylquinolin-6-yl)-pyridazin-4-ylmethanone?
The InChIKey is GULAYXRGJFMDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-10-2-3-11-8-12(4-5-14(11)18-10)15(19)13-6-7-16-17-9-13/h2-9H,1H3.
What are the key properties of (2-methylquinolin-6-yl)-pyridazin-4-ylmethanone?
(2-methylquinolin-6-yl)-pyridazin-4-ylmethanone has a molecular weight of 249.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-6-yl)-pyridazin-4-ylmethanone is sourced from PubChem (CID 105121470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).