(3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone

C17H15N3O — CID 105081132

IUPAC(3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone
SMILESCCc1nnc(C)cc1C(=O)c1cnc2ccccc2c1
InChIInChI=1S/C17H15N3O/c1-3-15-14(8-11(2)19-20-15)17(21)13-9-12-6-4-5-7-16(12)18-10-13/h4-10H,3H2,1-2H3
InChIKeyDLBWPZWVGKANFX-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.13
Rot. Bonds3

About (3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone

(3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone (PubChem CID 105081132) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is (3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone.

Molecular Properties

Compound Name(3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone
PubChem CID105081132
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name(3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone
SMILESCCc1nnc(C)cc1C(=O)c1cnc2ccccc2c1
InChIInChI=1S/C17H15N3O/c1-3-15-14(8-11(2)19-20-15)17(21)13-9-12-6-4-5-7-16(12)18-10-13/h4-10H,3H2,1-2H3
InChIKeyDLBWPZWVGKANFX-UHFFFAOYSA-N
XLogP3.13
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 88968554
CID 88968554
(7-ethylquinolin-3-yl)-(2-hydroxyphenyl)methanone
CID 139223032
(3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone
CID 105085643
(2-methylfuran-3-yl)-quinolin-3-ylmethanone
CID 104789375
(3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105122490
(E)-2-quinolin-3-ylbut-2-enamide
CID 174944026
(3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone
CID 105121617
(3-bromo-5-methylphenyl)-quinolin-3-ylmethanone
CID 114963114
(3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105117340
(4-methylsulfanylphenyl)-quinolin-3-ylmethanone
CID 114963133
2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105128071
quinoline-3-carboxamide;hydrofluoride
CID 174911514

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone?
The IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone (CID 105081132) is (3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone.
What is the SMILES notation for (3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone?
The canonical SMILES for (3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone is CCc1nnc(C)cc1C(=O)c1cnc2ccccc2c1.
What is the InChIKey of (3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone?
The InChIKey is DLBWPZWVGKANFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-3-15-14(8-11(2)19-20-15)17(21)13-9-12-6-4-5-7-16(12)18-10-13/h4-10H,3H2,1-2H3.
What are the key properties of (3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone?
(3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone has a molecular weight of 277.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone is sourced from PubChem (CID 105081132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).