1-(1-methyl-6,7,8,9-tetrahydrodibenzofuran-4-yl)isoquinoline

C22H19NO — CID 170518779

IUPAC1-(1-methyl-6,7,8,9-tetrahydrodibenzofuran-4-yl)isoquinoline
SMILESCc1ccc(-c2nccc3ccccc23)c2oc3c(c12)CCCC3
InChIInChI=1S/C22H19NO/c1-14-10-11-18(21-16-7-3-2-6-15(16)12-13-23-21)22-20(14)17-8-4-5-9-19(17)24-22/h2-3,6-7,10-13H,4-5,8-9H2,1H3
InChIKeyFKPRRVOUJONAMR-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.84
Rot. Bonds1

About 1-(1-methyl-6,7,8,9-tetrahydrodibenzofuran-4-yl)isoquinoline

1-(1-methyl-6,7,8,9-tetrahydrodibenzofuran-4-yl)isoquinoline (PubChem CID 170518779) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(1-methyl-6,7,8,9-tetrahydrodibenzofuran-4-yl)isoquinoline.

Molecular Properties

Compound Name1-(1-methyl-6,7,8,9-tetrahydrodibenzofuran-4-yl)isoquinoline
PubChem CID170518779
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name1-(1-methyl-6,7,8,9-tetrahydrodibenzofuran-4-yl)isoquinoline
SMILESCc1ccc(-c2nccc3ccccc23)c2oc3c(c12)CCCC3
InChIInChI=1S/C22H19NO/c1-14-10-11-18(21-16-7-3-2-6-15(16)12-13-23-21)22-20(14)17-8-4-5-9-19(17)24-22/h2-3,6-7,10-13H,4-5,8-9H2,1H3
InChIKeyFKPRRVOUJONAMR-UHFFFAOYSA-N
XLogP5.84
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-methyl-6,7,8,9-tetrahydrodibenzofuran-4-yl)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

4-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine
CID 170518785
1-(1-tert-butyldibenzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 171576802
1-(9-phenyldibenzofuran-4-yl)-5,6,7,8-tetrahydroisoquinoline
CID 166573839
1-(7-methyl-1H-indol-3-yl)isoquinoline
CID 118449722
tris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+)
CID 175811076
1-(7-fluorodibenzofuran-4-yl)isoquinoline
CID 164797559
N-(5-bromo-2-isoquinolin-1-ylphenyl)-4-methylbenzenesulfonamide
CID 72724310
carbanide;iridium;1-phenylisoquinoline
CID 166502152
1-[5-[3-[3-(3-cyclohepta-1,6-dien-1-yl-5-phenylphenyl)-5-(3,5-diphenylphenyl)phenyl]phenyl]-2-methylphenyl]isoquinoline
CID 144787273
4-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 171576824
1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline
CID 154960405
1-(4-ethylphenyl)isoquinoline
CID 58184660

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6,7,8,9-tetrahydrodibenzofuran-4-yl)isoquinoline?
The IUPAC name of 1-(1-methyl-6,7,8,9-tetrahydrodibenzofuran-4-yl)isoquinoline (CID 170518779) is 1-(1-methyl-6,7,8,9-tetrahydrodibenzofuran-4-yl)isoquinoline.
What is the SMILES notation for 1-(1-methyl-6,7,8,9-tetrahydrodibenzofuran-4-yl)isoquinoline?
The canonical SMILES for 1-(1-methyl-6,7,8,9-tetrahydrodibenzofuran-4-yl)isoquinoline is Cc1ccc(-c2nccc3ccccc23)c2oc3c(c12)CCCC3.
What is the InChIKey of 1-(1-methyl-6,7,8,9-tetrahydrodibenzofuran-4-yl)isoquinoline?
The InChIKey is FKPRRVOUJONAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-14-10-11-18(21-16-7-3-2-6-15(16)12-13-23-21)22-20(14)17-8-4-5-9-19(17)24-22/h2-3,6-7,10-13H,4-5,8-9H2,1H3.
What are the key properties of 1-(1-methyl-6,7,8,9-tetrahydrodibenzofuran-4-yl)isoquinoline?
1-(1-methyl-6,7,8,9-tetrahydrodibenzofuran-4-yl)isoquinoline has a molecular weight of 313.40 g/mol, XLogP of 5.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6,7,8,9-tetrahydrodibenzofuran-4-yl)isoquinoline is sourced from PubChem (CID 170518779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).