5-methyl-2-phenyl-2-(quinolin-2-ylmethyl)-1H-indol-3-one

C25H20N2O — CID 162512823

IUPAC5-methyl-2-phenyl-2-(quinolin-2-ylmethyl)-1H-indol-3-one
SMILESCc1ccc2c(c1)C(=O)C(Cc1ccc3ccccc3n1)(c1ccccc1)N2
InChIInChI=1S/C25H20N2O/c1-17-11-14-23-21(15-17)24(28)25(27-23,19-8-3-2-4-9-19)16-20-13-12-18-7-5-6-10-22(18)26-20/h2-15,27H,16H2,1H3
InChIKeyQQYDOQWTTJYJNJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.29
Rot. Bonds3

About 5-methyl-2-phenyl-2-(quinolin-2-ylmethyl)-1H-indol-3-one

5-methyl-2-phenyl-2-(quinolin-2-ylmethyl)-1H-indol-3-one (PubChem CID 162512823) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-methyl-2-phenyl-2-(quinolin-2-ylmethyl)-1H-indol-3-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-2-(quinolin-2-ylmethyl)-1H-indol-3-one
PubChem CID162512823
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC Name5-methyl-2-phenyl-2-(quinolin-2-ylmethyl)-1H-indol-3-one
SMILESCc1ccc2c(c1)C(=O)C(Cc1ccc3ccccc3n1)(c1ccccc1)N2
InChIInChI=1S/C25H20N2O/c1-17-11-14-23-21(15-17)24(28)25(27-23,19-8-3-2-4-9-19)16-20-13-12-18-7-5-6-10-22(18)26-20/h2-15,27H,16H2,1H3
InChIKeyQQYDOQWTTJYJNJ-UHFFFAOYSA-N
XLogP5.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-2-(quinolin-2-ylmethyl)-1H-indol-3-one?
The IUPAC name of 5-methyl-2-phenyl-2-(quinolin-2-ylmethyl)-1H-indol-3-one (CID 162512823) is 5-methyl-2-phenyl-2-(quinolin-2-ylmethyl)-1H-indol-3-one.
What is the SMILES notation for 5-methyl-2-phenyl-2-(quinolin-2-ylmethyl)-1H-indol-3-one?
The canonical SMILES for 5-methyl-2-phenyl-2-(quinolin-2-ylmethyl)-1H-indol-3-one is Cc1ccc2c(c1)C(=O)C(Cc1ccc3ccccc3n1)(c1ccccc1)N2.
What is the InChIKey of 5-methyl-2-phenyl-2-(quinolin-2-ylmethyl)-1H-indol-3-one?
The InChIKey is QQYDOQWTTJYJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O/c1-17-11-14-23-21(15-17)24(28)25(27-23,19-8-3-2-4-9-19)16-20-13-12-18-7-5-6-10-22(18)26-20/h2-15,27H,16H2,1H3.
What are the key properties of 5-methyl-2-phenyl-2-(quinolin-2-ylmethyl)-1H-indol-3-one?
5-methyl-2-phenyl-2-(quinolin-2-ylmethyl)-1H-indol-3-one has a molecular weight of 364.45 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-2-(quinolin-2-ylmethyl)-1H-indol-3-one is sourced from PubChem (CID 162512823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).