3-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-13-methyl-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione

C28H24N2O5 — CID 71770882

IUPAC3-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-13-methyl-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione
SMILESCOc1ccc(O)c(C2C3=C(NC(C)CN4C(=O)c5ccccc5C24O)c2ccccc2C3=O)c1
InChIInChI=1S/C28H24N2O5/c1-15-14-30-27(33)19-9-5-6-10-21(19)28(30,34)24(20-13-16(35-2)11-12-22(20)31)23-25(29-15)17-7-3-4-8-18(17)26(23)32/h3-13,15,24,29,31,34H,14H2,1-2H3
InChIKeyVWZKSTVAMNJZII-UHFFFAOYSA-N
MW468.51 g/mol
LogP3.38
Rot. Bonds2

About 3-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-13-methyl-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione

3-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-13-methyl-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione (PubChem CID 71770882) has the molecular formula C28H24N2O5 and a molecular weight of 468.51 g/mol. Its IUPAC name is 3-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-13-methyl-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione.

Molecular Properties

Compound Name3-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-13-methyl-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione
PubChem CID71770882
Molecular FormulaC28H24N2O5
Molecular Weight468.51 g/mol
Exact Mass468.17
IUPAC Name3-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-13-methyl-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione
SMILESCOc1ccc(O)c(C2C3=C(NC(C)CN4C(=O)c5ccccc5C24O)c2ccccc2C3=O)c1
InChIInChI=1S/C28H24N2O5/c1-15-14-30-27(33)19-9-5-6-10-21(19)28(30,34)24(20-13-16(35-2)11-12-22(20)31)23-25(29-15)17-7-3-4-8-18(17)26(23)32/h3-13,15,24,29,31,34H,14H2,1-2H3
InChIKeyVWZKSTVAMNJZII-UHFFFAOYSA-N
XLogP3.38
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-13-methyl-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione with MolForge

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

Launch Full Analysis

Related Compounds

3-hydroxy-2-(2-hydroxy-5-methylphenyl)-13-methyl-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione
CID 71770881
(2S,3R)-2-(5-chloro-2-hydroxy-4-methylphenyl)-3-hydroxy-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione
CID 102114608
(2S,7S,18R,19S)-19-hydroxy-18-(2-hydroxy-5-methylphenyl)-1,8-diazahexacyclo[17.7.0.02,7.09,17.010,15.020,25]hexacosa-9(17),10,12,14,20,22,24-heptaene-16,26-dione
CID 71771003
19-hydroxy-18-(2-hydroxy-5-iodophenyl)-1,8-diazahexacyclo[17.7.0.02,7.09,17.010,15.020,25]hexacosa-9(17),10,12,14,20,22,24-heptaene-16,26-dione
CID 71769119
(2R,3S)-2-(3,5-dichloro-2-hydroxyphenyl)-3-hydroxy-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione
CID 102114609
10b-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
CID 44721723
12-(4-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione
CID 21177329
(1S,9bR)-9b-hydroxy-1-(2-oxopropyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one
CID 102597734
(5S,11bS)-3-methoxy-5-methyl-11b-phenyl-5H-isoindolo[1,2-a]isoindol-7-one
CID 23244321
10-(2-hydroxy-4-methoxyphenyl)iminoanthracen-9-one
CID 10471763
(1R,13S)-16-methoxy-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),4,6,8,14(19),15,17-heptaene-3,10-dione
CID 132839453
2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3846487

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-13-methyl-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione?
The IUPAC name of 3-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-13-methyl-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione (CID 71770882) is 3-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-13-methyl-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione.
What is the SMILES notation for 3-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-13-methyl-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione?
The canonical SMILES for 3-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-13-methyl-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione is COc1ccc(O)c(C2C3=C(NC(C)CN4C(=O)c5ccccc5C24O)c2ccccc2C3=O)c1.
What is the InChIKey of 3-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-13-methyl-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione?
The InChIKey is VWZKSTVAMNJZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O5/c1-15-14-30-27(33)19-9-5-6-10-21(19)28(30,34)24(20-13-16(35-2)11-12-22(20)31)23-25(29-15)17-7-3-4-8-18(17)26(23)32/h3-13,15,24,29,31,34H,14H2,1-2H3.
What are the key properties of 3-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-13-methyl-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione?
3-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-13-methyl-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione has a molecular weight of 468.51 g/mol, XLogP of 3.38, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-13-methyl-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione is sourced from PubChem (CID 71770882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).