1-(1-cyclohex-2-en-1-ylcyclobutyl)-7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinoline

C22H31NO — CID 18975715

IUPAC1-(1-cyclohex-2-en-1-ylcyclobutyl)-7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1C)CCN(C)C2C1(C2C=CCCC2)CCC1
InChIInChI=1S/C22H31NO/c1-16-14-17-10-13-23(2)21(19(17)15-20(16)24-3)22(11-7-12-22)18-8-5-4-6-9-18/h5,8,14-15,18,21H,4,6-7,9-13H2,1-3H3
InChIKeyHLNMGRLNOQXTKU-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.06
Rot. Bonds3

About 1-(1-cyclohex-2-en-1-ylcyclobutyl)-7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinoline

1-(1-cyclohex-2-en-1-ylcyclobutyl)-7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 18975715) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-(1-cyclohex-2-en-1-ylcyclobutyl)-7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-(1-cyclohex-2-en-1-ylcyclobutyl)-7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinoline
PubChem CID18975715
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name1-(1-cyclohex-2-en-1-ylcyclobutyl)-7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1C)CCN(C)C2C1(C2C=CCCC2)CCC1
InChIInChI=1S/C22H31NO/c1-16-14-17-10-13-23(2)21(19(17)15-20(16)24-3)22(11-7-12-22)18-8-5-4-6-9-18/h5,8,14-15,18,21H,4,6-7,9-13H2,1-3H3
InChIKeyHLNMGRLNOQXTKU-UHFFFAOYSA-N
XLogP5.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(1-cyclohex-2-en-1-ylcyclobutyl)-7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinoline 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

1-[1-(2-bromophenyl)cyclobutyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 22406883
1-[1-(2-bromophenyl)cyclobutyl]-6-chloro-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 67821198
4-[(7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol
CID 11666529
6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
CID 22646
1-bromo-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 116995533
1-cyclopropyl-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 14939993
(6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 10107666
6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-amine
CID 116995519
(1S)-6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 42611556
1,10-dimethoxy-2,6,9-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 21028248
9,10-dimethoxyspiro[3,6,7,11b-tetrahydro-2H-benzo[a]quinolizine-1,2'-cyclohexane]-1',3',4-trione
CID 24867671
6-bromo-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 10042357

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohex-2-en-1-ylcyclobutyl)-7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-(1-cyclohex-2-en-1-ylcyclobutyl)-7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinoline (CID 18975715) is 1-(1-cyclohex-2-en-1-ylcyclobutyl)-7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-(1-cyclohex-2-en-1-ylcyclobutyl)-7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-(1-cyclohex-2-en-1-ylcyclobutyl)-7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1C)CCN(C)C2C1(C2C=CCCC2)CCC1.
What is the InChIKey of 1-(1-cyclohex-2-en-1-ylcyclobutyl)-7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is HLNMGRLNOQXTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-16-14-17-10-13-23(2)21(19(17)15-20(16)24-3)22(11-7-12-22)18-8-5-4-6-9-18/h5,8,14-15,18,21H,4,6-7,9-13H2,1-3H3.
What are the key properties of 1-(1-cyclohex-2-en-1-ylcyclobutyl)-7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinoline?
1-(1-cyclohex-2-en-1-ylcyclobutyl)-7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 325.50 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohex-2-en-1-ylcyclobutyl)-7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 18975715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).