2,5,6-trimethyl-4-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one

C18H21N3O2 — CID 146085512

IUPAC2,5,6-trimethyl-4-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one
SMILESCc1ccc2c(c1)N(C(=O)c1c(C)c(C)nn(C)c1=O)CCC2
InChIInChI=1S/C18H21N3O2/c1-11-7-8-14-6-5-9-21(15(14)10-11)18(23)16-12(2)13(3)19-20(4)17(16)22/h7-8,10H,5-6,9H2,1-4H3
InChIKeyHITVKCVYHDPBCI-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.30
Rot. Bonds1

About 2,5,6-trimethyl-4-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one

2,5,6-trimethyl-4-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one (PubChem CID 146085512) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2,5,6-trimethyl-4-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2,5,6-trimethyl-4-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one
PubChem CID146085512
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2,5,6-trimethyl-4-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one
SMILESCc1ccc2c(c1)N(C(=O)c1c(C)c(C)nn(C)c1=O)CCC2
InChIInChI=1S/C18H21N3O2/c1-11-7-8-14-6-5-9-21(15(14)10-11)18(23)16-12(2)13(3)19-20(4)17(16)22/h7-8,10H,5-6,9H2,1-4H3
InChIKeyHITVKCVYHDPBCI-UHFFFAOYSA-N
XLogP2.30
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 110682720
tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 72710357
(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-nitrophenyl)methanone
CID 895005
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 29479052
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone
CID 62266897
7-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 75463366
2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976101
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 62266900
(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 66121435
6-methyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one
CID 91950188
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 8893058
[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 8892631

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-4-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2,5,6-trimethyl-4-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one (CID 146085512) is 2,5,6-trimethyl-4-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2,5,6-trimethyl-4-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2,5,6-trimethyl-4-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one is Cc1ccc2c(c1)N(C(=O)c1c(C)c(C)nn(C)c1=O)CCC2.
What is the InChIKey of 2,5,6-trimethyl-4-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one?
The InChIKey is HITVKCVYHDPBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11-7-8-14-6-5-9-21(15(14)10-11)18(23)16-12(2)13(3)19-20(4)17(16)22/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of 2,5,6-trimethyl-4-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one?
2,5,6-trimethyl-4-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one has a molecular weight of 311.39 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-4-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 146085512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).