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

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

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Related Compounds

3-[4-[9-(1,2,8,8a-Tetrahydronaphthalen-2-yl)-10-(2,3-dihydronaphthalen-2-yl)-3,4,4a,5,10,10a-hexahydroanthracen-2-yl]cyclohexa-1,3-dien-1-yl]-6-(6,7-dihydronaphthalen-2-yl)-1,2,5,6,7a,11a-hexahydrobenzimidazolo[1,2-c]quinazoline
CID 89000992
9-[5-[4-[6-[3-(1,2,4a,4b,8a,9a-Hexahydrocarbazol-9-yl)cyclohexa-1,3-dien-1-yl]-4-[4-(5-cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)cyclohexen-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]-1,2,4b,8a-tetrahydrocarbazole
CID 89563717
12-dodecyl-3,4,5a,6,6a,10a-hexahydro-2H-naphtho[2,3-g]pteridine
CID 123591787
11-[3-[4-(1,8a-Dihydronaphthalen-2-yl)-2-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]cyclohexa-2,4-dien-1-yl]-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),7,9,15(20),18-pentaene
CID 146360714
4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-2-[4-(2-cyclohexa-1,5-dien-1-yl-2,3-dihydro-1H-pyrrol-5-yl)-2-methyl-5-(3,4,5,6,7,8,9,10-octahydrophenanthren-9-yl)cyclohex-3-en-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146647164
N-(3-cyclohexa-1,5-dien-1-yl-14-cyclohexa-2,4-dien-1-yl-11-ethyl-12-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),4(9),7,11,14,17-hexaenyl)-4-cyclohex-3-en-1-yl-N-(2-ethylcyclohexa-1,3-dien-1-yl)-1,4,4a,7,8,8a-hexahydroquinazolin-2-amine
CID 163672358
N-[3-(1-cyclohexylethyl)-5-propyl-1,2-dihydropyridin-6-yl]-2-ethylimino-1-methylpyridin-4-amine
CID 166887415
6-Cyclohexa-1,5-dien-1-yl-4-[3-(2-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-5-(6-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-1,2,3,4-tetrahydropyridin-3-yl)cyclohexa-1,3-dien-1-yl]-2-cyclohex-2-en-1-yl-1,2-dihydro-1,3,5-triazine
CID 176523055
4-Cyclohexa-1,5-dien-1-yl-2-(4-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-6-[4-cyclohex-3-en-1-yl-5-[2,6-di(cyclohexa-2,4-dien-1-yl)-1,2-dihydropyridin-3-yl]cyclohex-3-en-1-yl]-1,2-dihydro-1,3,5-triazine
CID 176523056
2-[5-[2-(3-Cyclohexa-2,4-dien-1-ylcyclohexa-1,5-dien-1-yl)-4-(5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]-3-(6-methyl-1,2,3,4,7,8-hexahydroquinolin-2-yl)cyclohex-3-en-1-yl]-6-methyl-2,3,4,4a-tetrahydroquinoline
CID 176525366
3-[9-[4-[2-(Cyclohexen-1-yl)-6-(1-methylcyclohex-2-en-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]cyclohex-3-en-1-yl]-3,4,4a,8,8a,9a-hexahydrocarbazol-2-yl]-2-methyl-9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,3,5,6,9a-hexahydrocarbazole
CID 176535025
9-[3-(4-Cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)-6-(4-methylazetidin-2-yl)cyclohexa-1,5-dien-1-yl]-1,5,6,8a,9,9a,10,10a-octahydroacridine
CID 176545705

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).