6,6,12-trimethylisochromeno[4,3-c]quinolin-11-one

C19H17NO2 — CID 10017165

IUPAC6,6,12-trimethylisochromeno[4,3-c]quinolin-11-one
SMILESCn1c(=O)c2c(c3ccccc31)OC(C)(C)c1ccccc1-2
InChIInChI=1S/C19H17NO2/c1-19(2)14-10-6-4-8-12(14)16-17(22-19)13-9-5-7-11-15(13)20(3)18(16)21/h4-11H,1-3H3
InChIKeyOSJFEQKUWOUWHV-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.83
Rot. Bonds

About 6,6,12-trimethylisochromeno[4,3-c]quinolin-11-one

6,6,12-trimethylisochromeno[4,3-c]quinolin-11-one (PubChem CID 10017165) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6,6,12-trimethylisochromeno[4,3-c]quinolin-11-one.

Molecular Properties

Compound Name6,6,12-trimethylisochromeno[4,3-c]quinolin-11-one
PubChem CID10017165
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name6,6,12-trimethylisochromeno[4,3-c]quinolin-11-one
SMILESCn1c(=O)c2c(c3ccccc31)OC(C)(C)c1ccccc1-2
InChIInChI=1S/C19H17NO2/c1-19(2)14-10-6-4-8-12(14)16-17(22-19)13-9-5-7-11-15(13)20(3)18(16)21/h4-11H,1-3H3
InChIKeyOSJFEQKUWOUWHV-UHFFFAOYSA-N
XLogP3.83
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-Methylflindersine
CID 72819
(+)-2,6-Dihydro-2,6-dimethyl-2-(4-methyl-3-penten-1-yl)-5H-pyrano[3,2-c]quinolin-5-one
CID 5315426
2,2,6-Trimethyl-2,3,4,6-tetrahydro-5H-pyrano[3,2-c]quinolin-5-one
CID 608293
2,6-Dimethyl-2-(4-methylpent-3-enyl)-3,4-dihydropyrano[3,2-c]quinolin-5-one
CID 44559726
2,6-Dimethyl-2-(4-methyl-3-oxopentyl)-3,4-dihydropyrano[3,2-c]quinolin-5-one
CID 44559731
Benzosimuline
CID 5321951
6-methyl-4-phenyl-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione
CID 4920638
4-hydroxy-3-mesityl-1-methyl-2(1H)-quinolinone
CID 54694329
5H-Pyrano[3,2-c]quinolin-5-one, 2,6-dihydro-2,6-dimethyl-2-(4-methyl-3-oxopentyl)-
CID 5318093
4-(4-ethylphenyl)-6-methyl-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione
CID 4920667
N-(2-methylphenyl)-1-oxo-N-propylisochromene-4-carboxamide
CID 4176103
N-(2,5-dimethylphenyl)-N-methyl-1-oxoisochromene-4-carboxamide
CID 4178581

Frequently Asked Questions

What is the IUPAC name of 6,6,12-trimethylisochromeno[4,3-c]quinolin-11-one?
The IUPAC name of 6,6,12-trimethylisochromeno[4,3-c]quinolin-11-one (CID 10017165) is 6,6,12-trimethylisochromeno[4,3-c]quinolin-11-one.
What is the SMILES notation for 6,6,12-trimethylisochromeno[4,3-c]quinolin-11-one?
The canonical SMILES for 6,6,12-trimethylisochromeno[4,3-c]quinolin-11-one is Cn1c(=O)c2c(c3ccccc31)OC(C)(C)c1ccccc1-2.
What is the InChIKey of 6,6,12-trimethylisochromeno[4,3-c]quinolin-11-one?
The InChIKey is OSJFEQKUWOUWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-19(2)14-10-6-4-8-12(14)16-17(22-19)13-9-5-7-11-15(13)20(3)18(16)21/h4-11H,1-3H3.
What are the key properties of 6,6,12-trimethylisochromeno[4,3-c]quinolin-11-one?
6,6,12-trimethylisochromeno[4,3-c]quinolin-11-one has a molecular weight of 291.35 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,12-trimethylisochromeno[4,3-c]quinolin-11-one is sourced from PubChem (CID 10017165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).