3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one

C19H22N2O3 — CID 56817964

IUPAC3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one
SMILESO=C(Cc1cc2ccccc2[nH]c1=O)N1CCOC2CCCCC21
InChIInChI=1S/C19H22N2O3/c22-18(21-9-10-24-17-8-4-3-7-16(17)21)12-14-11-13-5-1-2-6-15(13)20-19(14)23/h1-2,5-6,11,16-17H,3-4,7-10,12H2,(H,20,23)
InChIKeyHPPOVVRYCFAHOE-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.24
Rot. Bonds2

About 3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one

3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one (PubChem CID 56817964) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one
PubChem CID56817964
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one
SMILESO=C(Cc1cc2ccccc2[nH]c1=O)N1CCOC2CCCCC21
InChIInChI=1S/C19H22N2O3/c22-18(21-9-10-24-17-8-4-3-7-16(17)21)12-14-11-13-5-1-2-6-15(13)20-19(14)23/h1-2,5-6,11,16-17H,3-4,7-10,12H2,(H,20,23)
InChIKeyHPPOVVRYCFAHOE-UHFFFAOYSA-N
XLogP2.24
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119372066
3-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one
CID 136566373
3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid
CID 126790396
[2-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate
CID 97017507
3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one
CID 95584393
3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one
CID 124628242
3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-2H-isoquinolin-1-one
CID 95580359
3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one
CID 166270647
2-[2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl]isoquinolin-1-one
CID 124739149
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-1H-quinolin-2-one
CID 71940629
2-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-4-yl]acetamide
CID 56815967
3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110355917

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one (CID 56817964) is 3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one is O=C(Cc1cc2ccccc2[nH]c1=O)N1CCOC2CCCCC21.
What is the InChIKey of 3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one?
The InChIKey is HPPOVVRYCFAHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-18(21-9-10-24-17-8-4-3-7-16(17)21)12-14-11-13-5-1-2-6-15(13)20-19(14)23/h1-2,5-6,11,16-17H,3-4,7-10,12H2,(H,20,23).
What are the key properties of 3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one?
3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one is sourced from PubChem (CID 56817964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).