(6aR)-3-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-one

C18H17NO4 — CID 10662807

IUPAC(6aR)-3-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-one
SMILESCOc1c(O)c2c3c(c1OC)-c1ccccc1C[C@H]3NC(=O)C2
InChIInChI=1S/C18H17NO4/c1-22-17-15-10-6-4-3-5-9(10)7-12-14(15)11(8-13(20)19-12)16(21)18(17)23-2/h3-6,12,21H,7-8H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyYHTCCMRFBAMGJT-GFCCVEGCSA-N
MW311.34 g/mol
LogP2.35
Rot. Bonds2

About (6aR)-3-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-one

(6aR)-3-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-one (PubChem CID 10662807) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (6aR)-3-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-one.

Molecular Properties

Compound Name(6aR)-3-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-one
PubChem CID10662807
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(6aR)-3-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-one
SMILESCOc1c(O)c2c3c(c1OC)-c1ccccc1C[C@H]3NC(=O)C2
InChIInChI=1S/C18H17NO4/c1-22-17-15-10-6-4-3-5-9(10)7-12-14(15)11(8-13(20)19-12)16(21)18(17)23-2/h3-6,12,21H,7-8H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyYHTCCMRFBAMGJT-GFCCVEGCSA-N
XLogP2.35
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6aR)-3-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-one?
The IUPAC name of (6aR)-3-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-one (CID 10662807) is (6aR)-3-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-one.
What is the SMILES notation for (6aR)-3-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-one?
The canonical SMILES for (6aR)-3-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-one is COc1c(O)c2c3c(c1OC)-c1ccccc1C[C@H]3NC(=O)C2.
What is the InChIKey of (6aR)-3-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-one?
The InChIKey is YHTCCMRFBAMGJT-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17NO4/c1-22-17-15-10-6-4-3-5-9(10)7-12-14(15)11(8-13(20)19-12)16(21)18(17)23-2/h3-6,12,21H,7-8H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (6aR)-3-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-one?
(6aR)-3-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-one has a molecular weight of 311.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-3-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-one is sourced from PubChem (CID 10662807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).