5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one

C22H24N2O2 — CID 110771046

IUPAC5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(CC(=O)N3CCCc4ccccc43)ccc21
InChIInChI=1S/C22H24N2O2/c1-22(2)17-13-15(10-11-19(17)23(3)21(22)26)14-20(25)24-12-6-8-16-7-4-5-9-18(16)24/h4-5,7,9-11,13H,6,8,12,14H2,1-3H3
InChIKeyHELTYBOVIZZGOP-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.46
Rot. Bonds2

About 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one

5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one (PubChem CID 110771046) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one.

Molecular Properties

Compound Name5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one
PubChem CID110771046
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(CC(=O)N3CCCc4ccccc43)ccc21
InChIInChI=1S/C22H24N2O2/c1-22(2)17-13-15(10-11-19(17)23(3)21(22)26)14-20(25)24-12-6-8-16-7-4-5-9-18(16)24/h4-5,7,9-11,13H,6,8,12,14H2,1-3H3
InChIKeyHELTYBOVIZZGOP-UHFFFAOYSA-N
XLogP3.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 110768320
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 100699588
5,5-bis[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 2101977
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338653
1-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
CID 119763704
N-pyridin-2-yl-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide
CID 110771058
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
(5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 8659330
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864
1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone
CID 1226597
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one?
The IUPAC name of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one (CID 110771046) is 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one.
What is the SMILES notation for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one?
The canonical SMILES for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one is CN1C(=O)C(C)(C)c2cc(CC(=O)N3CCCc4ccccc43)ccc21.
What is the InChIKey of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one?
The InChIKey is HELTYBOVIZZGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-22(2)17-13-15(10-11-19(17)23(3)21(22)26)14-20(25)24-12-6-8-16-7-4-5-9-18(16)24/h4-5,7,9-11,13H,6,8,12,14H2,1-3H3.
What are the key properties of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one?
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one has a molecular weight of 348.45 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one is sourced from PubChem (CID 110771046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).