14-(morpholine-4-carbonyl)-12-phenyl-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraen-11-one

C22H20N2O3S2 — CID 19020434

IUPAC14-(morpholine-4-carbonyl)-12-phenyl-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraen-11-one
SMILESO=C(c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1SCC2)N1CCOCC1
InChIInChI=1S/C22H20N2O3S2/c25-21(23-7-10-27-11-8-23)17-14-16(15-4-2-1-3-5-15)22(26)24-9-13-28-18-6-12-29-20(18)19(17)24/h1-6,12,14H,7-11,13H2
InChIKeyCUWFCPGXIFTVLB-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.82
Rot. Bonds2

About 14-(morpholine-4-carbonyl)-12-phenyl-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraen-11-one

14-(morpholine-4-carbonyl)-12-phenyl-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraen-11-one (PubChem CID 19020434) has the molecular formula C22H20N2O3S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 14-(morpholine-4-carbonyl)-12-phenyl-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraen-11-one.

Molecular Properties

Compound Name14-(morpholine-4-carbonyl)-12-phenyl-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraen-11-one
PubChem CID19020434
Molecular FormulaC22H20N2O3S2
Molecular Weight424.55 g/mol
Exact Mass424.09
IUPAC Name14-(morpholine-4-carbonyl)-12-phenyl-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraen-11-one
SMILESO=C(c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1SCC2)N1CCOCC1
InChIInChI=1S/C22H20N2O3S2/c25-21(23-7-10-27-11-8-23)17-14-16(15-4-2-1-3-5-15)22(26)24-9-13-28-18-6-12-29-20(18)19(17)24/h1-6,12,14H,7-11,13H2
InChIKeyCUWFCPGXIFTVLB-UHFFFAOYSA-N
XLogP3.82
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 14-(morpholine-4-carbonyl)-12-phenyl-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraen-11-one with MolForge

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Related Compounds

11-oxo-12-phenyl-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraene-14-carboxylic acid
CID 14666742
10-chloro-1-(morpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 14666721
10-(2,6-dimethylmorpholine-4-carbonyl)-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one
CID 14666690
(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)methyl morpholine-4-carboxylate
CID 14666700
10-acetyl-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one
CID 14770037
morpholin-4-yl-(3-phenylthiophen-2-yl)methanone
CID 18105345
1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one;hydrochloride
CID 19020491
5-(morpholine-4-carbonyl)-4-phenyl-1H-pyridin-2-one
CID 134211396
10-chloro-6-ethyl-1-(morpholine-4-carbonyl)-3-phenyl-7H-pyrido[2,1-a]phthalazin-4-one
CID 19913682
11-phenyl-3,7-dithia-9-azatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraen-10-one
CID 70461258
10-(hydroxymethyl)-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one
CID 14666699
10-chloro-1-[4-(hydroxymethyl)piperidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 14770149

Frequently Asked Questions

What is the IUPAC name of 14-(morpholine-4-carbonyl)-12-phenyl-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraen-11-one?
The IUPAC name of 14-(morpholine-4-carbonyl)-12-phenyl-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraen-11-one (CID 19020434) is 14-(morpholine-4-carbonyl)-12-phenyl-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraen-11-one.
What is the SMILES notation for 14-(morpholine-4-carbonyl)-12-phenyl-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraen-11-one?
The canonical SMILES for 14-(morpholine-4-carbonyl)-12-phenyl-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraen-11-one is O=C(c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1SCC2)N1CCOCC1.
What is the InChIKey of 14-(morpholine-4-carbonyl)-12-phenyl-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraen-11-one?
The InChIKey is CUWFCPGXIFTVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S2/c25-21(23-7-10-27-11-8-23)17-14-16(15-4-2-1-3-5-15)22(26)24-9-13-28-18-6-12-29-20(18)19(17)24/h1-6,12,14H,7-11,13H2.
What are the key properties of 14-(morpholine-4-carbonyl)-12-phenyl-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraen-11-one?
14-(morpholine-4-carbonyl)-12-phenyl-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraen-11-one has a molecular weight of 424.55 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(morpholine-4-carbonyl)-12-phenyl-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraen-11-one is sourced from PubChem (CID 19020434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).