11,12-dimethoxy-6-pyridin-2-yl-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline

C23H23N3O2 — CID 110223009

IUPAC11,12-dimethoxy-6-pyridin-2-yl-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline
SMILESCOc1cc2c(cc1OC)C1c3ccccc3NC(c3ccccn3)N1CC2
InChIInChI=1S/C23H23N3O2/c1-27-20-13-15-10-12-26-22(17(15)14-21(20)28-2)16-7-3-4-8-18(16)25-23(26)19-9-5-6-11-24-19/h3-9,11,13-14,22-23,25H,10,12H2,1-2H3
InChIKeyXDKQIQFOFMJEQJ-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.17
Rot. Bonds3

About 11,12-dimethoxy-6-pyridin-2-yl-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline

11,12-dimethoxy-6-pyridin-2-yl-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline (PubChem CID 110223009) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 11,12-dimethoxy-6-pyridin-2-yl-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline.

Molecular Properties

Compound Name11,12-dimethoxy-6-pyridin-2-yl-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline
PubChem CID110223009
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name11,12-dimethoxy-6-pyridin-2-yl-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline
SMILESCOc1cc2c(cc1OC)C1c3ccccc3NC(c3ccccn3)N1CC2
InChIInChI=1S/C23H23N3O2/c1-27-20-13-15-10-12-26-22(17(15)14-21(20)28-2)16-7-3-4-8-18(16)25-23(26)19-9-5-6-11-24-19/h3-9,11,13-14,22-23,25H,10,12H2,1-2H3
InChIKeyXDKQIQFOFMJEQJ-UHFFFAOYSA-N
XLogP4.17
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 11,12-dimethoxy-6-pyridin-2-yl-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline with MolForge

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Related Compounds

6-(2-fluorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline
CID 46960151
[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-2-ylmethanone
CID 8016137
6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline
CID 122227728
6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline
CID 112511820
11,12-dimethoxy-5-methyl-9,13b-dihydro-8H-isoquinolino[2,1-c]quinazolin-6-one
CID 155805893
(1R)-6,7-dimethoxy-2-[(2R)-2-methylpyrrolidin-1-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 134925157
1-(6,7-dimethoxy-1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 46967402
6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 11022872
(1R)-1-(3-chlorophenyl)-2-(2,3-dihydro-1H-inden-2-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1353848
(1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 25389894
1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 4869004
1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenoxyethanone
CID 2442879

Frequently Asked Questions

What is the IUPAC name of 11,12-dimethoxy-6-pyridin-2-yl-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline?
The IUPAC name of 11,12-dimethoxy-6-pyridin-2-yl-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline (CID 110223009) is 11,12-dimethoxy-6-pyridin-2-yl-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline.
What is the SMILES notation for 11,12-dimethoxy-6-pyridin-2-yl-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline?
The canonical SMILES for 11,12-dimethoxy-6-pyridin-2-yl-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline is COc1cc2c(cc1OC)C1c3ccccc3NC(c3ccccn3)N1CC2.
What is the InChIKey of 11,12-dimethoxy-6-pyridin-2-yl-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline?
The InChIKey is XDKQIQFOFMJEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-27-20-13-15-10-12-26-22(17(15)14-21(20)28-2)16-7-3-4-8-18(16)25-23(26)19-9-5-6-11-24-19/h3-9,11,13-14,22-23,25H,10,12H2,1-2H3.
What are the key properties of 11,12-dimethoxy-6-pyridin-2-yl-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline?
11,12-dimethoxy-6-pyridin-2-yl-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline has a molecular weight of 373.46 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dimethoxy-6-pyridin-2-yl-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline is sourced from PubChem (CID 110223009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).