2-methyl-4-(2-methylanilino)indeno[1,2-b]pyridin-5-one

C20H16N2O — CID 10334968

IUPAC2-methyl-4-(2-methylanilino)indeno[1,2-b]pyridin-5-one
SMILESCc1cc(Nc2ccccc2C)c2c(n1)-c1ccccc1C2=O
InChIInChI=1S/C20H16N2O/c1-12-7-3-6-10-16(12)22-17-11-13(2)21-19-14-8-4-5-9-15(14)20(23)18(17)19/h3-11H,1-2H3,(H,21,22)
InChIKeyAXOCLHWOSCPHNK-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.65
Rot. Bonds2

About 2-methyl-4-(2-methylanilino)indeno[1,2-b]pyridin-5-one

2-methyl-4-(2-methylanilino)indeno[1,2-b]pyridin-5-one (PubChem CID 10334968) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-methyl-4-(2-methylanilino)indeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name2-methyl-4-(2-methylanilino)indeno[1,2-b]pyridin-5-one
PubChem CID10334968
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name2-methyl-4-(2-methylanilino)indeno[1,2-b]pyridin-5-one
SMILESCc1cc(Nc2ccccc2C)c2c(n1)-c1ccccc1C2=O
InChIInChI=1S/C20H16N2O/c1-12-7-3-6-10-16(12)22-17-11-13(2)21-19-14-8-4-5-9-15(14)20(23)18(17)19/h3-11H,1-2H3,(H,21,22)
InChIKeyAXOCLHWOSCPHNK-UHFFFAOYSA-N
XLogP4.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylanilino)indeno[1,2-b]pyridin-5-one?
The IUPAC name of 2-methyl-4-(2-methylanilino)indeno[1,2-b]pyridin-5-one (CID 10334968) is 2-methyl-4-(2-methylanilino)indeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 2-methyl-4-(2-methylanilino)indeno[1,2-b]pyridin-5-one?
The canonical SMILES for 2-methyl-4-(2-methylanilino)indeno[1,2-b]pyridin-5-one is Cc1cc(Nc2ccccc2C)c2c(n1)-c1ccccc1C2=O.
What is the InChIKey of 2-methyl-4-(2-methylanilino)indeno[1,2-b]pyridin-5-one?
The InChIKey is AXOCLHWOSCPHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-12-7-3-6-10-16(12)22-17-11-13(2)21-19-14-8-4-5-9-15(14)20(23)18(17)19/h3-11H,1-2H3,(H,21,22).
What are the key properties of 2-methyl-4-(2-methylanilino)indeno[1,2-b]pyridin-5-one?
2-methyl-4-(2-methylanilino)indeno[1,2-b]pyridin-5-one has a molecular weight of 300.36 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylanilino)indeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 10334968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).