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

C18H14N2O — CID 130474109

IUPAC3-(quinolin-2-ylmethyl)-2,3-dihydroisoindol-1-one
SMILESO=C1NC(Cc2ccc3ccccc3n2)c2ccccc21
InChIInChI=1S/C18H14N2O/c21-18-15-7-3-2-6-14(15)17(20-18)11-13-10-9-12-5-1-4-8-16(12)19-13/h1-10,17H,11H2,(H,20,21)
InChIKeyPUZXOBWWAQYMJR-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.26
Rot. Bonds2

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

3-(quinolin-2-ylmethyl)-2,3-dihydroisoindol-1-one (PubChem CID 130474109) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(quinolin-2-ylmethyl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name3-(quinolin-2-ylmethyl)-2,3-dihydroisoindol-1-one
PubChem CID130474109
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name3-(quinolin-2-ylmethyl)-2,3-dihydroisoindol-1-one
SMILESO=C1NC(Cc2ccc3ccccc3n2)c2ccccc21
InChIInChI=1S/C18H14N2O/c21-18-15-7-3-2-6-14(15)17(20-18)11-13-10-9-12-5-1-4-8-16(12)19-13/h1-10,17H,11H2,(H,20,21)
InChIKeyPUZXOBWWAQYMJR-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(quinolin-2-ylmethyl)-2,3-dihydroinden-1-one
CID 158495411
3-(hydroxymethyl)-2,3-dihydroisoindol-1-one
CID 119088605
3-[(3-oxo-1,2-dihydroisoindol-1-yl)methyl]-2,3-dihydroisoindol-1-one
CID 164673181
5-(quinolin-2-ylmethyl)pyrrolidin-2-one
CID 113441322
4-(quinolin-2-ylmethyl)-3,4-dihydrochromen-2-one
CID 102227366
3-(cyclopentylmethyl)-2,3-dihydroisoindol-1-one
CID 171099763
3-(quinolin-2-ylmethylimino)isoindol-1-one
CID 135997670
3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one
CID 45182687
3-phenacyl-2,3-dihydroisoindol-1-one
CID 10857928
CID 89210421
CID 89210421
(3R)-3-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one
CID 97119830
[2-(quinolin-2-ylmethyl)cyclohexyl]methanamine
CID 81010257

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-2-ylmethyl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 3-(quinolin-2-ylmethyl)-2,3-dihydroisoindol-1-one (CID 130474109) is 3-(quinolin-2-ylmethyl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 3-(quinolin-2-ylmethyl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 3-(quinolin-2-ylmethyl)-2,3-dihydroisoindol-1-one is O=C1NC(Cc2ccc3ccccc3n2)c2ccccc21.
What is the InChIKey of 3-(quinolin-2-ylmethyl)-2,3-dihydroisoindol-1-one?
The InChIKey is PUZXOBWWAQYMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c21-18-15-7-3-2-6-14(15)17(20-18)11-13-10-9-12-5-1-4-8-16(12)19-13/h1-10,17H,11H2,(H,20,21).
What are the key properties of 3-(quinolin-2-ylmethyl)-2,3-dihydroisoindol-1-one?
3-(quinolin-2-ylmethyl)-2,3-dihydroisoindol-1-one has a molecular weight of 274.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-2-ylmethyl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 130474109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).