10-[(4-hydroxyphenyl)methyl]-15-methyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione

C23H18N4O3 — CID 46904349

IUPAC10-[(4-hydroxyphenyl)methyl]-15-methyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione
SMILESCc1ccc2c(=O)n3c(nc2c1)C(Cc1ccc(O)cc1)NC(=O)c1cccnc1-3
InChIInChI=1S/C23H18N4O3/c1-13-4-9-16-18(11-13)25-21-19(12-14-5-7-15(28)8-6-14)26-22(29)17-3-2-10-24-20(17)27(21)23(16)30/h2-11,19,28H,12H2,1H3,(H,26,29)
InChIKeyTUZLKBGMVMDBER-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.82
Rot. Bonds2

About 10-[(4-hydroxyphenyl)methyl]-15-methyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione

10-[(4-hydroxyphenyl)methyl]-15-methyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione (PubChem CID 46904349) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 10-[(4-hydroxyphenyl)methyl]-15-methyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione.

Molecular Properties

Compound Name10-[(4-hydroxyphenyl)methyl]-15-methyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione
PubChem CID46904349
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name10-[(4-hydroxyphenyl)methyl]-15-methyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione
SMILESCc1ccc2c(=O)n3c(nc2c1)C(Cc1ccc(O)cc1)NC(=O)c1cccnc1-3
InChIInChI=1S/C23H18N4O3/c1-13-4-9-16-18(11-13)25-21-19(12-14-5-7-15(28)8-6-14)26-22(29)17-3-2-10-24-20(17)27(21)23(16)30/h2-11,19,28H,12H2,1H3,(H,26,29)
InChIKeyTUZLKBGMVMDBER-UHFFFAOYSA-N
XLogP2.82
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 10-[(4-hydroxyphenyl)methyl]-15-methyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[(4-hydroxyphenyl)methyl]-15-methyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione?
The IUPAC name of 10-[(4-hydroxyphenyl)methyl]-15-methyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione (CID 46904349) is 10-[(4-hydroxyphenyl)methyl]-15-methyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione.
What is the SMILES notation for 10-[(4-hydroxyphenyl)methyl]-15-methyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione?
The canonical SMILES for 10-[(4-hydroxyphenyl)methyl]-15-methyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione is Cc1ccc2c(=O)n3c(nc2c1)C(Cc1ccc(O)cc1)NC(=O)c1cccnc1-3.
What is the InChIKey of 10-[(4-hydroxyphenyl)methyl]-15-methyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione?
The InChIKey is TUZLKBGMVMDBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-13-4-9-16-18(11-13)25-21-19(12-14-5-7-15(28)8-6-14)26-22(29)17-3-2-10-24-20(17)27(21)23(16)30/h2-11,19,28H,12H2,1H3,(H,26,29).
What are the key properties of 10-[(4-hydroxyphenyl)methyl]-15-methyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione?
10-[(4-hydroxyphenyl)methyl]-15-methyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione has a molecular weight of 398.42 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-hydroxyphenyl)methyl]-15-methyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione is sourced from PubChem (CID 46904349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).