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

C24H23FN2O2 — CID 46960151

IUPAC6-(2-fluorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline
SMILESCOc1cc2c(cc1OC)C1c3ccccc3NC(c3ccccc3F)N1CC2
InChIInChI=1S/C24H23FN2O2/c1-28-21-13-15-11-12-27-23(18(15)14-22(21)29-2)17-8-4-6-10-20(17)26-24(27)16-7-3-5-9-19(16)25/h3-10,13-14,23-24,26H,11-12H2,1-2H3
InChIKeyYQDRBIASGDVUCF-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.91
Rot. Bonds3

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

6-(2-fluorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline (PubChem CID 46960151) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline.

Molecular Properties

Compound Name6-(2-fluorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline
PubChem CID46960151
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name6-(2-fluorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline
SMILESCOc1cc2c(cc1OC)C1c3ccccc3NC(c3ccccc3F)N1CC2
InChIInChI=1S/C24H23FN2O2/c1-28-21-13-15-11-12-27-23(18(15)14-22(21)29-2)17-8-4-6-10-20(17)26-24(27)16-7-3-5-9-19(16)25/h3-10,13-14,23-24,26H,11-12H2,1-2H3
InChIKeyYQDRBIASGDVUCF-UHFFFAOYSA-N
XLogP4.91
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

11,12-dimethoxy-6-pyridin-2-yl-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline
CID 110223009
1-(2-fluorophenyl)-6,7-dimethoxy-2-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 16676264
[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(2-fluorophenyl)methanone
CID 8504259
1-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 174547872
6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline
CID 122227728
(1R)-6,7-dimethoxy-2-[(2R)-2-methylpyrrolidin-1-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 134925157
6-bromo-2-(2-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroquinoline
CID 132590115
1-[(1S)-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-diphenylethanone
CID 92821677
[(1S)-1-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(4-fluorophenyl)methanone
CID 92771590
[(1S)-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[(1R)-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 155551693
(1S)-12-(4-fluorophenyl)-18,19-dimethoxy-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4,6,8,16,18,20-heptaene
CID 147615918
(1R)-N-cyclopropyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 7945218

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline?
The IUPAC name of 6-(2-fluorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline (CID 46960151) is 6-(2-fluorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline.
What is the SMILES notation for 6-(2-fluorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline?
The canonical SMILES for 6-(2-fluorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline is COc1cc2c(cc1OC)C1c3ccccc3NC(c3ccccc3F)N1CC2.
What is the InChIKey of 6-(2-fluorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline?
The InChIKey is YQDRBIASGDVUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-28-21-13-15-11-12-27-23(18(15)14-22(21)29-2)17-8-4-6-10-20(17)26-24(27)16-7-3-5-9-19(16)25/h3-10,13-14,23-24,26H,11-12H2,1-2H3.
What are the key properties of 6-(2-fluorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline?
6-(2-fluorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline has a molecular weight of 390.46 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline is sourced from PubChem (CID 46960151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).