17-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-10-one

C18H11N3O2 — CID 135771800

IUPAC17-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-10-one
SMILESO=c1c2ccccc2nc2n1Cc1cc3cc(O)ccc3nc1-2
InChIInChI=1S/C18H11N3O2/c22-12-5-6-14-10(8-12)7-11-9-21-17(16(11)19-14)20-15-4-2-1-3-13(15)18(21)23/h1-8,22H,9H2
InChIKeyIOPTYTOIBSWEHF-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.68
Rot. Bonds

About 17-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-10-one

17-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-10-one (PubChem CID 135771800) has the molecular formula C18H11N3O2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 17-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-10-one.

Molecular Properties

Compound Name17-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-10-one
PubChem CID135771800
Molecular FormulaC18H11N3O2
Molecular Weight301.31 g/mol
Exact Mass301.09
IUPAC Name17-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-10-one
SMILESO=c1c2ccccc2nc2n1Cc1cc3cc(O)ccc3nc1-2
InChIInChI=1S/C18H11N3O2/c22-12-5-6-14-10(8-12)7-11-9-21-17(16(11)19-14)20-15-4-2-1-3-13(15)18(21)23/h1-8,22H,9H2
InChIKeyIOPTYTOIBSWEHF-UHFFFAOYSA-N
XLogP2.68
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 17-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-10-one with MolForge

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Related Compounds

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Hydroxy evodiamine
CID 56967381
(1S)-7-hydroxy-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one
CID 71307457
Luotonin B
CID 10017730
1,2,3,4-Tetrahydropyrido[3,4-b]indole 11
CID 6539926
4-({2-benzoyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-9-yl}methyl)phenol
CID 6539934
3-Hydroxyevodiamine
CID 56967992
7-Hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one
CID 102351043
6-Hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one
CID 136734737
3-Hydroxyrutaecarpine
CID 637395
1,2,3,4-Tetrahydro pyrido[3,4-b]indole 28
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Piperazine, 4-benzoyl-1-[1,2-dioxo-2-(6-hydroxy-2-quinolinyl)ethyl]-2-methyl-
CID 5280292

Frequently Asked Questions

What is the IUPAC name of 17-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-10-one?
The IUPAC name of 17-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-10-one (CID 135771800) is 17-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-10-one.
What is the SMILES notation for 17-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-10-one?
The canonical SMILES for 17-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-10-one is O=c1c2ccccc2nc2n1Cc1cc3cc(O)ccc3nc1-2.
What is the InChIKey of 17-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-10-one?
The InChIKey is IOPTYTOIBSWEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O2/c22-12-5-6-14-10(8-12)7-11-9-21-17(16(11)19-14)20-15-4-2-1-3-13(15)18(21)23/h1-8,22H,9H2.
What are the key properties of 17-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-10-one?
17-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-10-one has a molecular weight of 301.31 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,14,16,18,20-nonaen-10-one is sourced from PubChem (CID 135771800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).