12-(furan-3-yl)-11-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-one

C20H17N3O2 — CID 163985650

IUPAC12-(furan-3-yl)-11-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-one
SMILESO=C1NNC2c3c(cccc31)NC(c1ccccc1)C2c1ccoc1
InChIInChI=1S/C20H17N3O2/c24-20-14-7-4-8-15-17(14)19(22-23-20)16(13-9-10-25-11-13)18(21-15)12-5-2-1-3-6-12/h1-11,16,18-19,21-22H,(H,23,24)
InChIKeyTWBOXMHCVKOJOZ-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.52
Rot. Bonds2

About 12-(furan-3-yl)-11-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-one

12-(furan-3-yl)-11-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-one (PubChem CID 163985650) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 12-(furan-3-yl)-11-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-one.

Molecular Properties

Compound Name12-(furan-3-yl)-11-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-one
PubChem CID163985650
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name12-(furan-3-yl)-11-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-one
SMILESO=C1NNC2c3c(cccc31)NC(c1ccccc1)C2c1ccoc1
InChIInChI=1S/C20H17N3O2/c24-20-14-7-4-8-15-17(14)19(22-23-20)16(13-9-10-25-11-13)18(21-15)12-5-2-1-3-6-12/h1-11,16,18-19,21-22H,(H,23,24)
InChIKeyTWBOXMHCVKOJOZ-UHFFFAOYSA-N
XLogP3.52
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-3-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
CID 19577722
2-(furan-3-yl)-4-methyl-5-phenyl-1,3-oxazolidine
CID 578967
(2S)-2-(3-chlorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 2507080
11-[(2-phenylethylamino)methyl]-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraen-4-one
CID 68674637
2,3,4a,5,10,10a-hexahydropyridazino[4,5-b]quinoxaline-1,4-dione
CID 67713840
(2S)-3-hydroxy-2-phenyl-1,2-dihydroquinazolin-4-one
CID 692260
4-fluoro-3-pyridin-3-yl-2,3-dihydroisoindol-1-one
CID 139404653
6-(furan-3-yl)-3-methylpiperidin-2-one
CID 130010026
5-(furan-3-yl)-1,3-oxazolidine-2,4-dione
CID 12962584
(2S)-2-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 94548593
(2R,3R,3'S,7'aR)-2-(furan-3-yl)-7'a-methyl-3'-phenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-one
CID 102430690
N-[2-(furan-3-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide
CID 3537495

Frequently Asked Questions

What is the IUPAC name of 12-(furan-3-yl)-11-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-one?
The IUPAC name of 12-(furan-3-yl)-11-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-one (CID 163985650) is 12-(furan-3-yl)-11-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-one.
What is the SMILES notation for 12-(furan-3-yl)-11-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-one?
The canonical SMILES for 12-(furan-3-yl)-11-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-one is O=C1NNC2c3c(cccc31)NC(c1ccccc1)C2c1ccoc1.
What is the InChIKey of 12-(furan-3-yl)-11-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-one?
The InChIKey is TWBOXMHCVKOJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-20-14-7-4-8-15-17(14)19(22-23-20)16(13-9-10-25-11-13)18(21-15)12-5-2-1-3-6-12/h1-11,16,18-19,21-22H,(H,23,24).
What are the key properties of 12-(furan-3-yl)-11-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-one?
12-(furan-3-yl)-11-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-one has a molecular weight of 331.38 g/mol, XLogP of 3.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(furan-3-yl)-11-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-one is sourced from PubChem (CID 163985650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).