Skip to content

8-[4,5-dimethyl-4-[2,3,4-trimethyl-6-(2-methyl-1,2-dihydropyridin-6-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]-1,7-dimethyl-6,7-dihydro-2H-quinoline

C31H45N5 — CID 146778521

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC8-[4,5-dimethyl-4-[2,3,4-trimethyl-6-(2-methyl-1,2-dihydropyridin-6-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]-1,7-dimethyl-6,7-dihydro-2H-quinoline
SMILESCC1C=CC=C(C2=NC(C)N(C)C(C)(C3(C)CC=C(C4=C5C(=CCC4C)C=CCN5C)CC3C)N2)N1
InChIInChI=1S/C31H45N5/c1-20-14-15-24-12-10-18-35(7)28(24)27(20)25-16-17-30(5,21(2)19-25)31(6)34-29(33-23(4)36(31)8)26-13-9-11-22(3)32-26/h9-13,15-16,20-23,32H,14,17-19H2,1-8H3,(H,33,34)
InChIKeyRTEUTPHMKTYROX-UHFFFAOYSA-N
MW487.74 g/mol
LogP5.50
Rot. Bonds3

About 8-[4,5-dimethyl-4-[2,3,4-trimethyl-6-(2-methyl-1,2-dihydropyridin-6-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]-1,7-dimethyl-6,7-dihydro-2H-quinoline

8-[4,5-dimethyl-4-[2,3,4-trimethyl-6-(2-methyl-1,2-dihydropyridin-6-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]-1,7-dimethyl-6,7-dihydro-2H-quinoline (PubChem CID 146778521) has the molecular formula C31H45N5 and a molecular weight of 487.74 g/mol. Its IUPAC name is 8-[4,5-dimethyl-4-[2,3,4-trimethyl-6-(2-methyl-1,2-dihydropyridin-6-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]-1,7-dimethyl-6,7-dihydro-2H-quinoline.

Molecular Properties

Compound Name8-[4,5-dimethyl-4-[2,3,4-trimethyl-6-(2-methyl-1,2-dihydropyridin-6-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]-1,7-dimethyl-6,7-dihydro-2H-quinoline
PubChem CID146778521
Molecular FormulaC31H45N5
Molecular Weight487.74 g/mol
Exact Mass487.37
IUPAC Name8-[4,5-dimethyl-4-[2,3,4-trimethyl-6-(2-methyl-1,2-dihydropyridin-6-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]-1,7-dimethyl-6,7-dihydro-2H-quinoline
SMILESCC1C=CC=C(C2=NC(C)N(C)C(C)(C3(C)CC=C(C4=C5C(=CCC4C)C=CCN5C)CC3C)N2)N1
InChIInChI=1S/C31H45N5/c1-20-14-15-24-12-10-18-35(7)28(24)27(20)25-16-17-30(5,21(2)19-25)31(6)34-29(33-23(4)36(31)8)26-13-9-11-22(3)32-26/h9-13,15-16,20-23,32H,14,17-19H2,1-8H3,(H,33,34)
InChIKeyRTEUTPHMKTYROX-UHFFFAOYSA-N
XLogP5.50
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.74
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-[4,5-dimethyl-4-[2,3,4-trimethyl-6-(2-methyl-1,2-dihydropyridin-6-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]-1,7-dimethyl-6,7-dihydro-2H-quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[4,5-dimethyl-4-[2,3,4-trimethyl-6-(2-methyl-1,2-dihydropyridin-6-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]-1,7-dimethyl-6,7-dihydro-2H-quinoline?
The IUPAC name of 8-[4,5-dimethyl-4-[2,3,4-trimethyl-6-(2-methyl-1,2-dihydropyridin-6-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]-1,7-dimethyl-6,7-dihydro-2H-quinoline (CID 146778521) is 8-[4,5-dimethyl-4-[2,3,4-trimethyl-6-(2-methyl-1,2-dihydropyridin-6-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]-1,7-dimethyl-6,7-dihydro-2H-quinoline.
What is the SMILES notation for 8-[4,5-dimethyl-4-[2,3,4-trimethyl-6-(2-methyl-1,2-dihydropyridin-6-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]-1,7-dimethyl-6,7-dihydro-2H-quinoline?
The canonical SMILES for 8-[4,5-dimethyl-4-[2,3,4-trimethyl-6-(2-methyl-1,2-dihydropyridin-6-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]-1,7-dimethyl-6,7-dihydro-2H-quinoline is CC1C=CC=C(C2=NC(C)N(C)C(C)(C3(C)CC=C(C4=C5C(=CCC4C)C=CCN5C)CC3C)N2)N1.
What is the InChIKey of 8-[4,5-dimethyl-4-[2,3,4-trimethyl-6-(2-methyl-1,2-dihydropyridin-6-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]-1,7-dimethyl-6,7-dihydro-2H-quinoline?
The InChIKey is RTEUTPHMKTYROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45N5/c1-20-14-15-24-12-10-18-35(7)28(24)27(20)25-16-17-30(5,21(2)19-25)31(6)34-29(33-23(4)36(31)8)26-13-9-11-22(3)32-26/h9-13,15-16,20-23,32H,14,17-19H2,1-8H3,(H,33,34).
What are the key properties of 8-[4,5-dimethyl-4-[2,3,4-trimethyl-6-(2-methyl-1,2-dihydropyridin-6-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]-1,7-dimethyl-6,7-dihydro-2H-quinoline?
8-[4,5-dimethyl-4-[2,3,4-trimethyl-6-(2-methyl-1,2-dihydropyridin-6-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]-1,7-dimethyl-6,7-dihydro-2H-quinoline has a molecular weight of 487.74 g/mol, XLogP of 5.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4,5-dimethyl-4-[2,3,4-trimethyl-6-(2-methyl-1,2-dihydropyridin-6-yl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]-1,7-dimethyl-6,7-dihydro-2H-quinoline is sourced from PubChem (CID 146778521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.