2-(4-methoxyphenyl)-3,6,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-7-one

C15H14N4O2 — CID 10826741

IUPAC2-(4-methoxyphenyl)-3,6,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-7-one
SMILESCOc1ccc(C23NCCN2C(=O)c2cnncc23)cc1
InChIInChI=1S/C15H14N4O2/c1-21-11-4-2-10(3-5-11)15-13-9-18-17-8-12(13)14(20)19(15)7-6-16-15/h2-5,8-9,16H,6-7H2,1H3
InChIKeyUVXKVXSKJXVASV-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.75
Rot. Bonds2

About 2-(4-methoxyphenyl)-3,6,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-7-one

2-(4-methoxyphenyl)-3,6,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-7-one (PubChem CID 10826741) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3,6,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-7-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3,6,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-7-one
PubChem CID10826741
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-(4-methoxyphenyl)-3,6,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-7-one
SMILESCOc1ccc(C23NCCN2C(=O)c2cnncc23)cc1
InChIInChI=1S/C15H14N4O2/c1-21-11-4-2-10(3-5-11)15-13-9-18-17-8-12(13)14(20)19(15)7-6-16-15/h2-5,8-9,16H,6-7H2,1H3
InChIKeyUVXKVXSKJXVASV-UHFFFAOYSA-N
XLogP0.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(9bS)-9b-(4-methoxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
CID 7332720
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CID 752307
9b-(4-chlorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;hydrate
CID 162051787
10b-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one
CID 21398454
8-chloro-9b-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one
CID 67918755
5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione
CID 116856095
1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3,3-dimethylpiperazin-2-one
CID 122573879
N-(4-methoxyphenyl)-9b-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
CID 11350484
(8aS)-8a-(4-methoxyphenyl)-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrimidine
CID 92569414
4-(4-methoxyphenyl)-4-methylimidazolidin-2-one
CID 105458751
(2R)-2-(4-methoxyphenyl)-2-(trifluoromethyl)aziridine
CID 102100873
2-(4-methoxyphenyl)-6a-methyl-8,9-dihydro-7H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3,6,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-7-one?
The IUPAC name of 2-(4-methoxyphenyl)-3,6,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-7-one (CID 10826741) is 2-(4-methoxyphenyl)-3,6,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-7-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3,6,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-7-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3,6,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-7-one is COc1ccc(C23NCCN2C(=O)c2cnncc23)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3,6,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-7-one?
The InChIKey is UVXKVXSKJXVASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-11-4-2-10(3-5-11)15-13-9-18-17-8-12(13)14(20)19(15)7-6-16-15/h2-5,8-9,16H,6-7H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3,6,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-7-one?
2-(4-methoxyphenyl)-3,6,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-7-one has a molecular weight of 282.30 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3,6,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-7-one is sourced from PubChem (CID 10826741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).