18-(4-hydroxy-3-methoxyphenyl)-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-14,16-dione

C22H17N3O4 — CID 4916739

IUPAC18-(4-hydroxy-3-methoxyphenyl)-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-14,16-dione
SMILESCOc1cc(C2c3c([nH]c(=O)[nH]c3=O)Nc3ccc4ccccc4c32)ccc1O
InChIInChI=1S/C22H17N3O4/c1-29-16-10-12(7-9-15(16)26)17-18-13-5-3-2-4-11(13)6-8-14(18)23-20-19(17)21(27)25-22(28)24-20/h2-10,17,26H,1H3,(H3,23,24,25,27,28)
InChIKeyYGMSKOMEBFTKMK-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.17
Rot. Bonds2

About 18-(4-hydroxy-3-methoxyphenyl)-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-14,16-dione

18-(4-hydroxy-3-methoxyphenyl)-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-14,16-dione (PubChem CID 4916739) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 18-(4-hydroxy-3-methoxyphenyl)-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-14,16-dione.

Molecular Properties

Compound Name18-(4-hydroxy-3-methoxyphenyl)-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-14,16-dione
PubChem CID4916739
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Name18-(4-hydroxy-3-methoxyphenyl)-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-14,16-dione
SMILESCOc1cc(C2c3c([nH]c(=O)[nH]c3=O)Nc3ccc4ccccc4c32)ccc1O
InChIInChI=1S/C22H17N3O4/c1-29-16-10-12(7-9-15(16)26)17-18-13-5-3-2-4-11(13)6-8-14(18)23-20-19(17)21(27)25-22(28)24-20/h2-10,17,26H,1H3,(H3,23,24,25,27,28)
InChIKeyYGMSKOMEBFTKMK-UHFFFAOYSA-N
XLogP3.17
TPSA107.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 18-(4-hydroxy-3-methoxyphenyl)-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-14,16-dione with MolForge

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Related Compounds

(18S)-18-(4-nitrophenyl)-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-14,16-dione
CID 7305489
methyl (5R)-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 7689876
(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 673087
(12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
CID 7419120
5-(4-hydroxy-3-methoxyphenyl)-2-sulfanylidene-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 3428289
13-(3-bromo-4-hydroxy-5-methoxyphenyl)-10-oxa-2-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,15,17,19,21-nonaen-11-one
CID 3926468
(1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2234146
(5R)-5-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135774740
5-(4-hydroxy-3-methoxyphenyl)-2-phenyl-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one
CID 5062383
(2S)-2-(3-methoxy-4-phenylmethoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
CID 27882218
12-amino-8-(4-hydroxy-3-methoxyphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),3(7),12-triene-6,10-dione
CID 135524242
12-[4-(hydroxymethylperoxymethyl)-3-methoxyphenyl]-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[a]acridin-11-one
CID 177269526

Frequently Asked Questions

What is the IUPAC name of 18-(4-hydroxy-3-methoxyphenyl)-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-14,16-dione?
The IUPAC name of 18-(4-hydroxy-3-methoxyphenyl)-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-14,16-dione (CID 4916739) is 18-(4-hydroxy-3-methoxyphenyl)-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-14,16-dione.
What is the SMILES notation for 18-(4-hydroxy-3-methoxyphenyl)-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-14,16-dione?
The canonical SMILES for 18-(4-hydroxy-3-methoxyphenyl)-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-14,16-dione is COc1cc(C2c3c([nH]c(=O)[nH]c3=O)Nc3ccc4ccccc4c32)ccc1O.
What is the InChIKey of 18-(4-hydroxy-3-methoxyphenyl)-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-14,16-dione?
The InChIKey is YGMSKOMEBFTKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c1-29-16-10-12(7-9-15(16)26)17-18-13-5-3-2-4-11(13)6-8-14(18)23-20-19(17)21(27)25-22(28)24-20/h2-10,17,26H,1H3,(H3,23,24,25,27,28).
What are the key properties of 18-(4-hydroxy-3-methoxyphenyl)-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-14,16-dione?
18-(4-hydroxy-3-methoxyphenyl)-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-14,16-dione has a molecular weight of 387.40 g/mol, XLogP of 3.17, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(4-hydroxy-3-methoxyphenyl)-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-14,16-dione is sourced from PubChem (CID 4916739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).