2-(15-methyl-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl)-1-phenylethanol

C22H26N4O — CID 71008424

IUPAC2-(15-methyl-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl)-1-phenylethanol
SMILESCc1ncc2c(n1)c1c(n2CC(O)c2ccccc2)CCN2CCCCC12
InChIInChI=1S/C22H26N4O/c1-15-23-13-19-22(24-15)21-17-9-5-6-11-25(17)12-10-18(21)26(19)14-20(27)16-7-3-2-4-8-16/h2-4,7-8,13,17,20,27H,5-6,9-12,14H2,1H3
InChIKeyRFQAAYXDLKCCKC-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.56
Rot. Bonds3

About 2-(15-methyl-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl)-1-phenylethanol

2-(15-methyl-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl)-1-phenylethanol (PubChem CID 71008424) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-(15-methyl-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(15-methyl-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl)-1-phenylethanol
PubChem CID71008424
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-(15-methyl-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl)-1-phenylethanol
SMILESCc1ncc2c(n1)c1c(n2CC(O)c2ccccc2)CCN2CCCCC12
InChIInChI=1S/C22H26N4O/c1-15-23-13-19-22(24-15)21-17-9-5-6-11-25(17)12-10-18(21)26(19)14-20(27)16-7-3-2-4-8-16/h2-4,7-8,13,17,20,27H,5-6,9-12,14H2,1H3
InChIKeyRFQAAYXDLKCCKC-UHFFFAOYSA-N
XLogP3.56
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(15-methyl-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl)-1-phenylethanol with MolForge

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Related Compounds

14-methyl-10-(2-phenylethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene
CID 71007689
2-(4-methoxyphenyl)-1-(14-methyl-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)propan-2-ol
CID 71007766
15-methyl-11-(2-phenylethyl)-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene
CID 71008400
(1S)-2-[(11cR)-9-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-1-pyridin-4-ylethanol
CID 118481729
1-pyridin-4-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol
CID 58459887
2-(8-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
CID 73331394
(1S)-2-(8-chloro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
CID 118481782
2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(2H-triazol-4-yl)ethanol
CID 71007540
ethyl 7-(2-hydroxy-2-pyridin-4-ylethyl)-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole-10-carboxylate
CID 118481762
2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol
CID 91829068
11-[2-(4-chlorophenyl)ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene
CID 71008316
1-(14-methyl-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol
CID 71008096

Frequently Asked Questions

What is the IUPAC name of 2-(15-methyl-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl)-1-phenylethanol?
The IUPAC name of 2-(15-methyl-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl)-1-phenylethanol (CID 71008424) is 2-(15-methyl-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl)-1-phenylethanol.
What is the SMILES notation for 2-(15-methyl-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl)-1-phenylethanol?
The canonical SMILES for 2-(15-methyl-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl)-1-phenylethanol is Cc1ncc2c(n1)c1c(n2CC(O)c2ccccc2)CCN2CCCCC12.
What is the InChIKey of 2-(15-methyl-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl)-1-phenylethanol?
The InChIKey is RFQAAYXDLKCCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15-23-13-19-22(24-15)21-17-9-5-6-11-25(17)12-10-18(21)26(19)14-20(27)16-7-3-2-4-8-16/h2-4,7-8,13,17,20,27H,5-6,9-12,14H2,1H3.
What are the key properties of 2-(15-methyl-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl)-1-phenylethanol?
2-(15-methyl-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl)-1-phenylethanol has a molecular weight of 362.48 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(15-methyl-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl)-1-phenylethanol is sourced from PubChem (CID 71008424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).