3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one

C20H18N2O2 — CID 166457969

IUPAC3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one
SMILESCC(=O)N1Cc2ccc(Cc3cc4ccccc4[nH]c3=O)cc2C1
InChIInChI=1S/C20H18N2O2/c1-13(23)22-11-16-7-6-14(9-18(16)12-22)8-17-10-15-4-2-3-5-19(15)21-20(17)24/h2-7,9-10H,8,11-12H2,1H3,(H,21,24)
InChIKeyWVVVRRYBIPBJKK-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.98
Rot. Bonds2

About 3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one

3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one (PubChem CID 166457969) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one
PubChem CID166457969
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one
SMILESCC(=O)N1Cc2ccc(Cc3cc4ccccc4[nH]c3=O)cc2C1
InChIInChI=1S/C20H18N2O2/c1-13(23)22-11-16-7-6-14(9-18(16)12-22)8-17-10-15-4-2-3-5-19(15)21-20(17)24/h2-7,9-10H,8,11-12H2,1H3,(H,21,24)
InChIKeyWVVVRRYBIPBJKK-UHFFFAOYSA-N
XLogP2.98
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one
CID 166457923
ethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one
CID 166457788
3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one
CID 166457863
3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one
CID 166457897
3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one
CID 167291231
3-[[4-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]phenyl]methyl]-1H-quinolin-2-one
CID 175839152
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 942796
2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84631810
3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one
CID 86812574
N-[[2-methyl-4-[(2-oxo-1H-quinolin-3-yl)methyl]phenyl]methyl]methanesulfonamide
CID 167290973
(3S)-2-[2-(2-oxo-1H-quinolin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125151333
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylacetamide
CID 945365

Frequently Asked Questions

What is the IUPAC name of 3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one (CID 166457969) is 3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one is CC(=O)N1Cc2ccc(Cc3cc4ccccc4[nH]c3=O)cc2C1.
What is the InChIKey of 3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one?
The InChIKey is WVVVRRYBIPBJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-13(23)22-11-16-7-6-14(9-18(16)12-22)8-17-10-15-4-2-3-5-19(15)21-20(17)24/h2-7,9-10H,8,11-12H2,1H3,(H,21,24).
What are the key properties of 3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one?
3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one has a molecular weight of 318.38 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 166457969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).