9,10-dihydroxy-6,6,9,12-tetramethyl-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-11-one

C20H25NO4 — CID 162907654

IUPAC9,10-dihydroxy-6,6,9,12-tetramethyl-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-11-one
SMILESCn1c(=O)c2c(c3ccccc31)OC(C)(C)C1CCC(C)(O)C(O)C21
InChIInChI=1S/C20H25NO4/c1-19(2)12-9-10-20(3,24)17(22)14(12)15-16(25-19)11-7-5-6-8-13(11)21(4)18(15)23/h5-8,12,14,17,22,24H,9-10H2,1-4H3
InChIKeyZEHIXFMWFRDDON-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.32
Rot. Bonds

About 9,10-dihydroxy-6,6,9,12-tetramethyl-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-11-one

9,10-dihydroxy-6,6,9,12-tetramethyl-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-11-one (PubChem CID 162907654) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 9,10-dihydroxy-6,6,9,12-tetramethyl-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-11-one.

Molecular Properties

Compound Name9,10-dihydroxy-6,6,9,12-tetramethyl-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-11-one
PubChem CID162907654
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name9,10-dihydroxy-6,6,9,12-tetramethyl-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-11-one
SMILESCn1c(=O)c2c(c3ccccc31)OC(C)(C)C1CCC(C)(O)C(O)C21
InChIInChI=1S/C20H25NO4/c1-19(2)12-9-10-20(3,24)17(22)14(12)15-16(25-19)11-7-5-6-8-13(11)21(4)18(15)23/h5-8,12,14,17,22,24H,9-10H2,1-4H3
InChIKeyZEHIXFMWFRDDON-UHFFFAOYSA-N
XLogP2.32
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9,10-dihydroxy-6,6,9,12-tetramethyl-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-11-one?
The IUPAC name of 9,10-dihydroxy-6,6,9,12-tetramethyl-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-11-one (CID 162907654) is 9,10-dihydroxy-6,6,9,12-tetramethyl-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-11-one.
What is the SMILES notation for 9,10-dihydroxy-6,6,9,12-tetramethyl-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-11-one?
The canonical SMILES for 9,10-dihydroxy-6,6,9,12-tetramethyl-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-11-one is Cn1c(=O)c2c(c3ccccc31)OC(C)(C)C1CCC(C)(O)C(O)C21.
What is the InChIKey of 9,10-dihydroxy-6,6,9,12-tetramethyl-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-11-one?
The InChIKey is ZEHIXFMWFRDDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-19(2)12-9-10-20(3,24)17(22)14(12)15-16(25-19)11-7-5-6-8-13(11)21(4)18(15)23/h5-8,12,14,17,22,24H,9-10H2,1-4H3.
What are the key properties of 9,10-dihydroxy-6,6,9,12-tetramethyl-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-11-one?
9,10-dihydroxy-6,6,9,12-tetramethyl-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-11-one has a molecular weight of 343.42 g/mol, XLogP of 2.32, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydroxy-6,6,9,12-tetramethyl-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-11-one is sourced from PubChem (CID 162907654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).