7-hydroxy-4-phenyl-2,4,10,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one

C15H12N4O2 — CID 148516761

IUPAC7-hydroxy-4-phenyl-2,4,10,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one
SMILESO=C1c2nnccc2N=C2N(c3ccccc3)CCC12O
InChIInChI=1S/C15H12N4O2/c20-13-12-11(6-8-16-18-12)17-14-15(13,21)7-9-19(14)10-4-2-1-3-5-10/h1-6,8,21H,7,9H2
InChIKeyMNPCDLLMHMIYLT-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.34
Rot. Bonds1

About 7-hydroxy-4-phenyl-2,4,10,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one

7-hydroxy-4-phenyl-2,4,10,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one (PubChem CID 148516761) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 7-hydroxy-4-phenyl-2,4,10,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one.

Molecular Properties

Compound Name7-hydroxy-4-phenyl-2,4,10,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one
PubChem CID148516761
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name7-hydroxy-4-phenyl-2,4,10,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one
SMILESO=C1c2nnccc2N=C2N(c3ccccc3)CCC12O
InChIInChI=1S/C15H12N4O2/c20-13-12-11(6-8-16-18-12)17-14-15(13,21)7-9-19(14)10-4-2-1-3-5-10/h1-6,8,21H,7,9H2
InChIKeyMNPCDLLMHMIYLT-UHFFFAOYSA-N
XLogP1.34
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3aS)-3a-hydroxy-7-methyl-1-phenyl-6-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
CID 176733611
1-(4-aminophenyl)-3a-hydroxy-2,3-dihydropyrrolo[2,3-b][1,7]naphthyridin-4-one
CID 169040252
1-cinnolin-6-yl-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
CID 166784533
3a-hydroxy-5-(2-methylbut-2-enylidene)-1-phenyl-3,6-dihydro-2H-pyrrolo[2,3-b]pyridin-4-one
CID 2409
(3aS)-3a-hydroxy-6-methyl-1-(3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
CID 153374809
3a-hydroxy-5,7-dimethyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
CID 166784546
1-(1,2,3-benzothiadiazol-6-yl)-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
CID 166784522
4-[(3aS)-6-fluoro-3a-hydroxy-4-oxo-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]benzonitrile
CID 166787468
(3aS)-3a-hydroxy-6-methyl-1-(2-methylquinolin-6-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
CID 148715088
(3aS)-1-(1,3-benzothiazol-6-yl)-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
CID 153374789
CID 174089295
CID 174089295
(6-methyl-4-oxo-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-3a-yl) benzoate
CID 5066230

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-phenyl-2,4,10,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one?
The IUPAC name of 7-hydroxy-4-phenyl-2,4,10,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one (CID 148516761) is 7-hydroxy-4-phenyl-2,4,10,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one.
What is the SMILES notation for 7-hydroxy-4-phenyl-2,4,10,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one?
The canonical SMILES for 7-hydroxy-4-phenyl-2,4,10,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one is O=C1c2nnccc2N=C2N(c3ccccc3)CCC12O.
What is the InChIKey of 7-hydroxy-4-phenyl-2,4,10,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one?
The InChIKey is MNPCDLLMHMIYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-13-12-11(6-8-16-18-12)17-14-15(13,21)7-9-19(14)10-4-2-1-3-5-10/h1-6,8,21H,7,9H2.
What are the key properties of 7-hydroxy-4-phenyl-2,4,10,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one?
7-hydroxy-4-phenyl-2,4,10,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one has a molecular weight of 280.29 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-phenyl-2,4,10,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one is sourced from PubChem (CID 148516761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).