6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one

C19H14N2O — CID 141397233

IUPAC6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one
SMILESC=C1c2ccc(C)cc2C(=O)N1c1cccc2cccnc12
InChIInChI=1S/C19H14N2O/c1-12-8-9-15-13(2)21(19(22)16(15)11-12)17-7-3-5-14-6-4-10-20-18(14)17/h3-11H,2H2,1H3
InChIKeyDTKIKWXLHXNURC-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.17
Rot. Bonds1

About 6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one

6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one (PubChem CID 141397233) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one.

Molecular Properties

Compound Name6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one
PubChem CID141397233
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one
SMILESC=C1c2ccc(C)cc2C(=O)N1c1cccc2cccnc12
InChIInChI=1S/C19H14N2O/c1-12-8-9-15-13(2)21(19(22)16(15)11-12)17-7-3-5-14-6-4-10-20-18(14)17/h3-11H,2H2,1H3
InChIKeyDTKIKWXLHXNURC-UHFFFAOYSA-N
XLogP4.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one?
The IUPAC name of 6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one (CID 141397233) is 6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one.
What is the SMILES notation for 6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one?
The canonical SMILES for 6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one is C=C1c2ccc(C)cc2C(=O)N1c1cccc2cccnc12.
What is the InChIKey of 6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one?
The InChIKey is DTKIKWXLHXNURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c1-12-8-9-15-13(2)21(19(22)16(15)11-12)17-7-3-5-14-6-4-10-20-18(14)17/h3-11H,2H2,1H3.
What are the key properties of 6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one?
6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one has a molecular weight of 286.33 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one is sourced from PubChem (CID 141397233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).