4-(4-methylphenyl)-7-(6-methylpyridazin-3-yl)-1,2,3,4-tetrahydroquinoline

C21H21N3 — CID 66789935

IUPAC4-(4-methylphenyl)-7-(6-methylpyridazin-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(C2CCNc3cc(-c4ccc(C)nn4)ccc32)cc1
InChIInChI=1S/C21H21N3/c1-14-3-6-16(7-4-14)18-11-12-22-21-13-17(8-9-19(18)21)20-10-5-15(2)23-24-20/h3-10,13,18,22H,11-12H2,1-2H3
InChIKeyPNIRPCYOHLVXBU-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.71
Rot. Bonds2

About 4-(4-methylphenyl)-7-(6-methylpyridazin-3-yl)-1,2,3,4-tetrahydroquinoline

4-(4-methylphenyl)-7-(6-methylpyridazin-3-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 66789935) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-(4-methylphenyl)-7-(6-methylpyridazin-3-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-(4-methylphenyl)-7-(6-methylpyridazin-3-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID66789935
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name4-(4-methylphenyl)-7-(6-methylpyridazin-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(C2CCNc3cc(-c4ccc(C)nn4)ccc32)cc1
InChIInChI=1S/C21H21N3/c1-14-3-6-16(7-4-14)18-11-12-22-21-13-17(8-9-19(18)21)20-10-5-15(2)23-24-20/h3-10,13,18,22H,11-12H2,1-2H3
InChIKeyPNIRPCYOHLVXBU-UHFFFAOYSA-N
XLogP4.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-methylphenyl)-7-(6-methylpyridazin-3-yl)-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-chlorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964763
5-(2,3-difluorophenyl)-8-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66964918
5-(3-chloro-1H-indol-5-yl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964923
5-(3-fluoro-1H-indol-5-yl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66965265
5-(3,5-difluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964444
N,N-dimethyl-4-[2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]benzamide
CID 66963765
9-fluoro-8-(6-methylpyridazin-3-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66965051
7-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275529
2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 68996070
5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-4-ol
CID 66965204
4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 68997660
3-(6-methylpyridazin-3-yl)aniline
CID 69120674

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-7-(6-methylpyridazin-3-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-(4-methylphenyl)-7-(6-methylpyridazin-3-yl)-1,2,3,4-tetrahydroquinoline (CID 66789935) is 4-(4-methylphenyl)-7-(6-methylpyridazin-3-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-(4-methylphenyl)-7-(6-methylpyridazin-3-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-(4-methylphenyl)-7-(6-methylpyridazin-3-yl)-1,2,3,4-tetrahydroquinoline is Cc1ccc(C2CCNc3cc(-c4ccc(C)nn4)ccc32)cc1.
What is the InChIKey of 4-(4-methylphenyl)-7-(6-methylpyridazin-3-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is PNIRPCYOHLVXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3/c1-14-3-6-16(7-4-14)18-11-12-22-21-13-17(8-9-19(18)21)20-10-5-15(2)23-24-20/h3-10,13,18,22H,11-12H2,1-2H3.
What are the key properties of 4-(4-methylphenyl)-7-(6-methylpyridazin-3-yl)-1,2,3,4-tetrahydroquinoline?
4-(4-methylphenyl)-7-(6-methylpyridazin-3-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 315.42 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-7-(6-methylpyridazin-3-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 66789935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).