[(8S,13bS)-5-methyl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazolin-8-yl]methanol

C18H20N2O — CID 134844392

IUPAC[(8S,13bS)-5-methyl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazolin-8-yl]methanol
SMILESCN1CN2[C@H](CO)Cc3ccccc3[C@H]2c2ccccc21
InChIInChI=1S/C18H20N2O/c1-19-12-20-14(11-21)10-13-6-2-3-7-15(13)18(20)16-8-4-5-9-17(16)19/h2-9,14,18,21H,10-12H2,1H3/t14-,18-/m0/s1
InChIKeyTVABKSVARPSWGD-KSSFIOAISA-N
MW280.37 g/mol
LogP2.40
Rot. Bonds1

About [(8S,13bS)-5-methyl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazolin-8-yl]methanol

[(8S,13bS)-5-methyl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazolin-8-yl]methanol (PubChem CID 134844392) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is [(8S,13bS)-5-methyl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazolin-8-yl]methanol.

Molecular Properties

Compound Name[(8S,13bS)-5-methyl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazolin-8-yl]methanol
PubChem CID134844392
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name[(8S,13bS)-5-methyl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazolin-8-yl]methanol
SMILESCN1CN2[C@H](CO)Cc3ccccc3[C@H]2c2ccccc21
InChIInChI=1S/C18H20N2O/c1-19-12-20-14(11-21)10-13-6-2-3-7-15(13)18(20)16-8-4-5-9-17(16)19/h2-9,14,18,21H,10-12H2,1H3/t14-,18-/m0/s1
InChIKeyTVABKSVARPSWGD-KSSFIOAISA-N
XLogP2.40
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(8S,13bS)-5-methyl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazolin-8-yl]methanol?
The IUPAC name of [(8S,13bS)-5-methyl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazolin-8-yl]methanol (CID 134844392) is [(8S,13bS)-5-methyl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazolin-8-yl]methanol.
What is the SMILES notation for [(8S,13bS)-5-methyl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazolin-8-yl]methanol?
The canonical SMILES for [(8S,13bS)-5-methyl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazolin-8-yl]methanol is CN1CN2[C@H](CO)Cc3ccccc3[C@H]2c2ccccc21.
What is the InChIKey of [(8S,13bS)-5-methyl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazolin-8-yl]methanol?
The InChIKey is TVABKSVARPSWGD-KSSFIOAISA-N. The full InChI is InChI=1S/C18H20N2O/c1-19-12-20-14(11-21)10-13-6-2-3-7-15(13)18(20)16-8-4-5-9-17(16)19/h2-9,14,18,21H,10-12H2,1H3/t14-,18-/m0/s1.
What are the key properties of [(8S,13bS)-5-methyl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazolin-8-yl]methanol?
[(8S,13bS)-5-methyl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazolin-8-yl]methanol has a molecular weight of 280.37 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S,13bS)-5-methyl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazolin-8-yl]methanol is sourced from PubChem (CID 134844392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).