7-[(5,7-dimethyl-8-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

C29H40N2 — CID 142393506

IUPAC7-[(5,7-dimethyl-8-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCCCc1c(C)c(Cc2c(C)c3c4c(c2C)CCCN4CCC3)c(C)c2c1NCCC2
InChIInChI=1S/C29H40N2/c1-6-10-22-18(2)26(19(3)23-11-7-14-30-28(22)23)17-27-20(4)24-12-8-15-31-16-9-13-25(21(27)5)29(24)31/h30H,6-17H2,1-5H3
InChIKeyKNOPKHSJOMWYIF-UHFFFAOYSA-N
MW416.65 g/mol
LogP6.52
Rot. Bonds4

About 7-[(5,7-dimethyl-8-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

7-[(5,7-dimethyl-8-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 142393506) has the molecular formula C29H40N2 and a molecular weight of 416.65 g/mol. Its IUPAC name is 7-[(5,7-dimethyl-8-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

Compound Name7-[(5,7-dimethyl-8-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
PubChem CID142393506
Molecular FormulaC29H40N2
Molecular Weight416.65 g/mol
Exact Mass416.32
IUPAC Name7-[(5,7-dimethyl-8-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCCCc1c(C)c(Cc2c(C)c3c4c(c2C)CCCN4CCC3)c(C)c2c1NCCC2
InChIInChI=1S/C29H40N2/c1-6-10-22-18(2)26(19(3)23-11-7-14-30-28(22)23)17-27-20(4)24-12-8-15-31-16-9-13-25(21(27)5)29(24)31/h30H,6-17H2,1-5H3
InChIKeyKNOPKHSJOMWYIF-UHFFFAOYSA-N
XLogP6.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.65
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

Analyze 7-[(5,7-dimethyl-8-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene 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 7-[(5,7-dimethyl-8-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The IUPAC name of 7-[(5,7-dimethyl-8-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 142393506) is 7-[(5,7-dimethyl-8-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.
What is the SMILES notation for 7-[(5,7-dimethyl-8-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The canonical SMILES for 7-[(5,7-dimethyl-8-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is CCCc1c(C)c(Cc2c(C)c3c4c(c2C)CCCN4CCC3)c(C)c2c1NCCC2.
What is the InChIKey of 7-[(5,7-dimethyl-8-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The InChIKey is KNOPKHSJOMWYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N2/c1-6-10-22-18(2)26(19(3)23-11-7-14-30-28(22)23)17-27-20(4)24-12-8-15-31-16-9-13-25(21(27)5)29(24)31/h30H,6-17H2,1-5H3.
What are the key properties of 7-[(5,7-dimethyl-8-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
7-[(5,7-dimethyl-8-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene has a molecular weight of 416.65 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5,7-dimethyl-8-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 142393506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).