1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;N-(2-oxo-1H-pyridin-4-yl)acetamide;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)phenol;7-(trifluoromethyl)-1H-quinolin-4-one

C88H77F3N18O14 — CID 159568184

IUPAC1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;N-(2-oxo-1H-pyridin-4-yl)acetamide;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)phenol;7-(trifluoromethyl)-1H-quinolin-4-one
SMILESCC(=O)Nc1cc[nH]c(=O)c1.Cc1cc(C)c(C#N)c(=O)[nH]1.NC(=O)c1ncccc1O.O=c1[nH]cnc2ccccc12.O=c1[nH]cnc2nccnc12.O=c1cc[nH]c2cc(C(F)(F)F)ccc12.Oc1ccc(-n2cncn2)cc1.Oc1ccc2c3c1CCCN3CCC2.Oc1cccc2c(O)cccc12.Oc1ccccc1-c1nc2ccccc2o1
InChIInChI=1S/C13H9NO2.C12H15NO.C10H6F3NO.C10H8O2.C8H7N3O.C8H6N2O.C8H8N2O.C7H8N2O2.C6H4N4O.C6H6N2O2/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13;11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15;11-9-5-1-3-7-8(9)4-2-6-10(7)12;12-8-3-1-7(2-4-8)11-6-9-5-10-11;11-8-6-3-1-2-4-7(6)9-5-10-8;1-5-3-6(2)10-8(11)7(5)4-9;1-5(10)9-6-2-3-8-7(11)4-6;11-6-4-5(9-3-10-6)8-2-1-7-4;7-6(10)5-4(9)2-1-3-8-5/h1-8,15H;5-6,14H,1-4,7-8H2;1-5H,(H,14,15);1-6,11-12H;1-6,12H;1-5H,(H,9,10,11);3H,1-2H3,(H,10,11);2-4H,1H3,(H2,8,9,10,11);1-3H,(H,8,9,10,11);1-3,9H,(H2,7,10)
InChIKeyMHLVXSKXDOQHAM-UHFFFAOYSA-N
MW1667.69 g/mol
LogP12.78
Rot. Bonds4

About 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;N-(2-oxo-1H-pyridin-4-yl)acetamide;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)phenol;7-(trifluoromethyl)-1H-quinolin-4-one

1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;N-(2-oxo-1H-pyridin-4-yl)acetamide;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)phenol;7-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 159568184) has the molecular formula C88H77F3N18O14 and a molecular weight of 1667.69 g/mol. Its IUPAC name is 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;N-(2-oxo-1H-pyridin-4-yl)acetamide;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)phenol;7-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;N-(2-oxo-1H-pyridin-4-yl)acetamide;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)phenol;7-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID159568184
Molecular FormulaC88H77F3N18O14
Molecular Weight1667.69 g/mol
Exact Mass1666.58
IUPAC Name1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;N-(2-oxo-1H-pyridin-4-yl)acetamide;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)phenol;7-(trifluoromethyl)-1H-quinolin-4-one
SMILESCC(=O)Nc1cc[nH]c(=O)c1.Cc1cc(C)c(C#N)c(=O)[nH]1.NC(=O)c1ncccc1O.O=c1[nH]cnc2ccccc12.O=c1[nH]cnc2nccnc12.O=c1cc[nH]c2cc(C(F)(F)F)ccc12.Oc1ccc(-n2cncn2)cc1.Oc1ccc2c3c1CCCN3CCC2.Oc1cccc2c(O)cccc12.Oc1ccccc1-c1nc2ccccc2o1
InChIInChI=1S/C13H9NO2.C12H15NO.C10H6F3NO.C10H8O2.C8H7N3O.C8H6N2O.C8H8N2O.C7H8N2O2.C6H4N4O.C6H6N2O2/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13;11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15;11-9-5-1-3-7-8(9)4-2-6-10(7)12;12-8-3-1-7(2-4-8)11-6-9-5-10-11;11-8-6-3-1-2-4-7(6)9-5-10-8;1-5-3-6(2)10-8(11)7(5)4-9;1-5(10)9-6-2-3-8-7(11)4-6;11-6-4-5(9-3-10-6)8-2-1-7-4;7-6(10)5-4(9)2-1-3-8-5/h1-8,15H;5-6,14H,1-4,7-8H2;1-5H,(H,14,15);1-6,11-12H;1-6,12H;1-5H,(H,9,10,11);3H,1-2H3,(H,10,11);2-4H,1H3,(H2,8,9,10,11);1-3H,(H,8,9,10,11);1-3,9H,(H2,7,10)
InChIKeyMHLVXSKXDOQHAM-UHFFFAOYSA-N
XLogP12.78
TPSA506.09 Ų
H-Bond Donors13
H-Bond Acceptors25
Rotatable Bonds4
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001667.69
LogP ≤ 512.78
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1025

Analyze 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;N-(2-oxo-1H-pyridin-4-yl)acetamide;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)phenol;7-(trifluoromethyl)-1H-quinolin-4-one with MolForge

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Related Compounds

1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;nobelium;N-(2-oxo-1H-pyridin-4-yl)acetamide;phenol;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)cyclohexa-1,3-dien-1-ol;7-(trifluoromethyl)-1H-quinolin-4-one
CID 158723844
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;3-nitrophenol;nobelium;N-(2-oxo-1H-pyridin-4-yl)acetamide;phenol;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)phenol;7-(trifluoromethyl)-1H-quinolin-4-one
CID 159616468
6-[3-[(3R)-3-[[5-[[1-[6-(7-methoxyisoquinolin-6-yl)pyridazin-3-yl]pyrrolidin-3-yl]amino]-2,5-dimethylhexan-2-yl]-methylamino]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-2-methyl-1,3-benzoxazol-5-ol
CID 167504248

Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;N-(2-oxo-1H-pyridin-4-yl)acetamide;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)phenol;7-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;N-(2-oxo-1H-pyridin-4-yl)acetamide;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)phenol;7-(trifluoromethyl)-1H-quinolin-4-one (CID 159568184) is 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;N-(2-oxo-1H-pyridin-4-yl)acetamide;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)phenol;7-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;N-(2-oxo-1H-pyridin-4-yl)acetamide;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)phenol;7-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;N-(2-oxo-1H-pyridin-4-yl)acetamide;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)phenol;7-(trifluoromethyl)-1H-quinolin-4-one is CC(=O)Nc1cc[nH]c(=O)c1.Cc1cc(C)c(C#N)c(=O)[nH]1.NC(=O)c1ncccc1O.O=c1[nH]cnc2ccccc12.O=c1[nH]cnc2nccnc12.O=c1cc[nH]c2cc(C(F)(F)F)ccc12.Oc1ccc(-n2cncn2)cc1.Oc1ccc2c3c1CCCN3CCC2.Oc1cccc2c(O)cccc12.Oc1ccccc1-c1nc2ccccc2o1.
What is the InChIKey of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;N-(2-oxo-1H-pyridin-4-yl)acetamide;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)phenol;7-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is MHLVXSKXDOQHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2.C12H15NO.C10H6F3NO.C10H8O2.C8H7N3O.C8H6N2O.C8H8N2O.C7H8N2O2.C6H4N4O.C6H6N2O2/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13;11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15;11-9-5-1-3-7-8(9)4-2-6-10(7)12;12-8-3-1-7(2-4-8)11-6-9-5-10-11;11-8-6-3-1-2-4-7(6)9-5-10-8;1-5-3-6(2)10-8(11)7(5)4-9;1-5(10)9-6-2-3-8-7(11)4-6;11-6-4-5(9-3-10-6)8-2-1-7-4;7-6(10)5-4(9)2-1-3-8-5/h1-8,15H;5-6,14H,1-4,7-8H2;1-5H,(H,14,15);1-6,11-12H;1-6,12H;1-5H,(H,9,10,11);3H,1-2H3,(H,10,11);2-4H,1H3,(H2,8,9,10,11);1-3H,(H,8,9,10,11);1-3,9H,(H2,7,10).
What are the key properties of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;N-(2-oxo-1H-pyridin-4-yl)acetamide;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)phenol;7-(trifluoromethyl)-1H-quinolin-4-one?
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;N-(2-oxo-1H-pyridin-4-yl)acetamide;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)phenol;7-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 1667.69 g/mol, XLogP of 12.78, 4 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;N-(2-oxo-1H-pyridin-4-yl)acetamide;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)phenol;7-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 159568184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).