15,16,17-trimethoxy-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),9,11,14,16,18-nonaen-13-ol

C22H20N2O4 — CID 57409695

IUPAC15,16,17-trimethoxy-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),9,11,14,16,18-nonaen-13-ol
SMILESCOc1cc2c(c(OC)c1OC)C(O)c1nccc3c4ccccc4n(c13)C2
InChIInChI=1S/C22H20N2O4/c1-26-16-10-12-11-24-15-7-5-4-6-13(15)14-8-9-23-18(19(14)24)20(25)17(12)22(28-3)21(16)27-2/h4-10,20,25H,11H2,1-3H3
InChIKeyQYKJSQPKZKAQLR-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.66
Rot. Bonds3

About 15,16,17-trimethoxy-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),9,11,14,16,18-nonaen-13-ol

15,16,17-trimethoxy-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),9,11,14,16,18-nonaen-13-ol (PubChem CID 57409695) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 15,16,17-trimethoxy-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),9,11,14,16,18-nonaen-13-ol.

Molecular Properties

Compound Name15,16,17-trimethoxy-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),9,11,14,16,18-nonaen-13-ol
PubChem CID57409695
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name15,16,17-trimethoxy-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),9,11,14,16,18-nonaen-13-ol
SMILESCOc1cc2c(c(OC)c1OC)C(O)c1nccc3c4ccccc4n(c13)C2
InChIInChI=1S/C22H20N2O4/c1-26-16-10-12-11-24-15-7-5-4-6-13(15)14-8-9-23-18(19(14)24)20(25)17(12)22(28-3)21(16)27-2/h4-10,20,25H,11H2,1-3H3
InChIKeyQYKJSQPKZKAQLR-UHFFFAOYSA-N
XLogP3.66
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 15,16,17-trimethoxy-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),9,11,14,16,18-nonaen-13-ol 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

ethyl 2-[[7-(4-methoxyphenyl)-8-oxo-4,7,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11,13,15-hexaene-6-carbonyl]amino]acetate
CID 102417626
(E)-3-(9-methylpyrido[3,4-b]indol-1-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 90681574
(NZ)-N-(3,4,5-trimethoxy-12-methyl-12-azatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-10-ylidene)hydroxylamine
CID 122391902
3,4-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-2-one
CID 163003547
5,6,7-trimethoxy-1-phenylisoquinoline
CID 134913791
6-methoxy-4-methylbenzo[h]quinoline
CID 11009579
8-methoxy-9-methylpyrido[3,4-b]indol-1-amine
CID 115036068
(9-methylcarbazol-1-yl)-(2,3,4,5-tetramethoxyphenyl)methanone
CID 170563793
5,6,7-trimethoxy-4-methylquinoline
CID 163584599
(10bR,11R)-11-benzyl-8,9,10-trimethoxy-10b,11-dihydro-6H-isoindolo[2,1-a]indole
CID 53474782
4-methoxy-5-methylpyrido[3,2-b]indole-2-carboxylic acid
CID 10563006
(2-cyclopropyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82544375

Frequently Asked Questions

What is the IUPAC name of 15,16,17-trimethoxy-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),9,11,14,16,18-nonaen-13-ol?
The IUPAC name of 15,16,17-trimethoxy-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),9,11,14,16,18-nonaen-13-ol (CID 57409695) is 15,16,17-trimethoxy-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),9,11,14,16,18-nonaen-13-ol.
What is the SMILES notation for 15,16,17-trimethoxy-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),9,11,14,16,18-nonaen-13-ol?
The canonical SMILES for 15,16,17-trimethoxy-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),9,11,14,16,18-nonaen-13-ol is COc1cc2c(c(OC)c1OC)C(O)c1nccc3c4ccccc4n(c13)C2.
What is the InChIKey of 15,16,17-trimethoxy-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),9,11,14,16,18-nonaen-13-ol?
The InChIKey is QYKJSQPKZKAQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-26-16-10-12-11-24-15-7-5-4-6-13(15)14-8-9-23-18(19(14)24)20(25)17(12)22(28-3)21(16)27-2/h4-10,20,25H,11H2,1-3H3.
What are the key properties of 15,16,17-trimethoxy-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),9,11,14,16,18-nonaen-13-ol?
15,16,17-trimethoxy-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),9,11,14,16,18-nonaen-13-ol has a molecular weight of 376.41 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16,17-trimethoxy-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),9,11,14,16,18-nonaen-13-ol is sourced from PubChem (CID 57409695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).