6,6,9,12-tetramethylisochromeno[4,3-c]quinolin-11-one

C20H19NO2 — CID 5321951

IUPAC6,6,9,12-tetramethylisochromeno[4,3-c]quinolin-11-one
SMILESCc1ccc2c(c1)-c1c(c3ccccc3n(C)c1=O)OC2(C)C
InChIInChI=1S/C20H19NO2/c1-12-9-10-15-14(11-12)17-18(23-20(15,2)3)13-7-5-6-8-16(13)21(4)19(17)22/h5-11H,1-4H3
InChIKeyOSBHLKXCNYMURI-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.14
Rot. Bonds

About 6,6,9,12-tetramethylisochromeno[4,3-c]quinolin-11-one

6,6,9,12-tetramethylisochromeno[4,3-c]quinolin-11-one (PubChem CID 5321951) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6,6,9,12-tetramethylisochromeno[4,3-c]quinolin-11-one.

Molecular Properties

Compound Name6,6,9,12-tetramethylisochromeno[4,3-c]quinolin-11-one
PubChem CID5321951
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name6,6,9,12-tetramethylisochromeno[4,3-c]quinolin-11-one
SMILESCc1ccc2c(c1)-c1c(c3ccccc3n(C)c1=O)OC2(C)C
InChIInChI=1S/C20H19NO2/c1-12-9-10-15-14(11-12)17-18(23-20(15,2)3)13-7-5-6-8-16(13)21(4)19(17)22/h5-11H,1-4H3
InChIKeyOSBHLKXCNYMURI-UHFFFAOYSA-N
XLogP4.14
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6,9,12-tetramethylisochromeno[4,3-c]quinolin-11-one?
The IUPAC name of 6,6,9,12-tetramethylisochromeno[4,3-c]quinolin-11-one (CID 5321951) is 6,6,9,12-tetramethylisochromeno[4,3-c]quinolin-11-one.
What is the SMILES notation for 6,6,9,12-tetramethylisochromeno[4,3-c]quinolin-11-one?
The canonical SMILES for 6,6,9,12-tetramethylisochromeno[4,3-c]quinolin-11-one is Cc1ccc2c(c1)-c1c(c3ccccc3n(C)c1=O)OC2(C)C.
What is the InChIKey of 6,6,9,12-tetramethylisochromeno[4,3-c]quinolin-11-one?
The InChIKey is OSBHLKXCNYMURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-12-9-10-15-14(11-12)17-18(23-20(15,2)3)13-7-5-6-8-16(13)21(4)19(17)22/h5-11H,1-4H3.
What are the key properties of 6,6,9,12-tetramethylisochromeno[4,3-c]quinolin-11-one?
6,6,9,12-tetramethylisochromeno[4,3-c]quinolin-11-one has a molecular weight of 305.38 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,9,12-tetramethylisochromeno[4,3-c]quinolin-11-one is sourced from PubChem (CID 5321951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).