3-(quinolin-2-ylmethyl)-2,3-dihydroinden-1-one

C19H15NO — CID 158495411

IUPAC3-(quinolin-2-ylmethyl)-2,3-dihydroinden-1-one
SMILESO=C1CC(Cc2ccc3ccccc3n2)c2ccccc21
InChIInChI=1S/C19H15NO/c21-19-12-14(16-6-2-3-7-17(16)19)11-15-10-9-13-5-1-4-8-18(13)20-15/h1-10,14H,11-12H2
InChIKeyDSHBCNQOBILHES-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.15
Rot. Bonds2

About 3-(quinolin-2-ylmethyl)-2,3-dihydroinden-1-one

3-(quinolin-2-ylmethyl)-2,3-dihydroinden-1-one (PubChem CID 158495411) has the molecular formula C19H15NO and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(quinolin-2-ylmethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-(quinolin-2-ylmethyl)-2,3-dihydroinden-1-one
PubChem CID158495411
Molecular FormulaC19H15NO
Molecular Weight273.34 g/mol
Exact Mass273.12
IUPAC Name3-(quinolin-2-ylmethyl)-2,3-dihydroinden-1-one
SMILESO=C1CC(Cc2ccc3ccccc3n2)c2ccccc21
InChIInChI=1S/C19H15NO/c21-19-12-14(16-6-2-3-7-17(16)19)11-15-10-9-13-5-1-4-8-18(13)20-15/h1-10,14H,11-12H2
InChIKeyDSHBCNQOBILHES-UHFFFAOYSA-N
XLogP4.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-2-ylmethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 3-(quinolin-2-ylmethyl)-2,3-dihydroinden-1-one (CID 158495411) is 3-(quinolin-2-ylmethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-(quinolin-2-ylmethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 3-(quinolin-2-ylmethyl)-2,3-dihydroinden-1-one is O=C1CC(Cc2ccc3ccccc3n2)c2ccccc21.
What is the InChIKey of 3-(quinolin-2-ylmethyl)-2,3-dihydroinden-1-one?
The InChIKey is DSHBCNQOBILHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO/c21-19-12-14(16-6-2-3-7-17(16)19)11-15-10-9-13-5-1-4-8-18(13)20-15/h1-10,14H,11-12H2.
What are the key properties of 3-(quinolin-2-ylmethyl)-2,3-dihydroinden-1-one?
3-(quinolin-2-ylmethyl)-2,3-dihydroinden-1-one has a molecular weight of 273.34 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-2-ylmethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 158495411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).