11-benzyl-10-oxa-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one

C17H14N2O2 — CID 139898997

IUPAC11-benzyl-10-oxa-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
SMILESO=c1[nH]nc2c3c(cccc13)OC(Cc1ccccc1)C2
InChIInChI=1S/C17H14N2O2/c20-17-13-7-4-8-15-16(13)14(18-19-17)10-12(21-15)9-11-5-2-1-3-6-11/h1-8,12H,9-10H2,(H,19,20)
InChIKeyJWUWDIJWXCOUCZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.47
Rot. Bonds2

About 11-benzyl-10-oxa-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one

11-benzyl-10-oxa-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one (PubChem CID 139898997) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 11-benzyl-10-oxa-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one.

Molecular Properties

Compound Name11-benzyl-10-oxa-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
PubChem CID139898997
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name11-benzyl-10-oxa-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
SMILESO=c1[nH]nc2c3c(cccc13)OC(Cc1ccccc1)C2
InChIInChI=1S/C17H14N2O2/c20-17-13-7-4-8-15-16(13)14(18-19-17)10-12(21-15)9-11-5-2-1-3-6-11/h1-8,12H,9-10H2,(H,19,20)
InChIKeyJWUWDIJWXCOUCZ-UHFFFAOYSA-N
XLogP2.47
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 14773508
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CID 10728624
4-[(2,6-dibenzylpiperidin-4-yl)amino]-2H-phthalazin-1-one
CID 59468068
4-benzyl-5-methoxy-2H-phthalazin-1-one
CID 58763958
11-pyridin-3-yl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
CID 176978343
(2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 129362542
N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)acetamide
CID 166201044
(5R)-5-benzyl-4,5-dihydro-1,2-oxazole
CID 125494321
(5S)-5-benzyl-3-naphthalen-1-yl-4,5-dihydro-1,2-oxazole
CID 71561575
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 27793935
4-cyclopentyl-2H-phthalazin-1-one
CID 852172

Frequently Asked Questions

What is the IUPAC name of 11-benzyl-10-oxa-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?
The IUPAC name of 11-benzyl-10-oxa-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one (CID 139898997) is 11-benzyl-10-oxa-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one.
What is the SMILES notation for 11-benzyl-10-oxa-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?
The canonical SMILES for 11-benzyl-10-oxa-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one is O=c1[nH]nc2c3c(cccc13)OC(Cc1ccccc1)C2.
What is the InChIKey of 11-benzyl-10-oxa-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?
The InChIKey is JWUWDIJWXCOUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-17-13-7-4-8-15-16(13)14(18-19-17)10-12(21-15)9-11-5-2-1-3-6-11/h1-8,12H,9-10H2,(H,19,20).
What are the key properties of 11-benzyl-10-oxa-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?
11-benzyl-10-oxa-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one has a molecular weight of 278.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzyl-10-oxa-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one is sourced from PubChem (CID 139898997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).