7-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,13,15,17,19-nonaen-10-one

C18H11N3O2 — CID 135409754

IUPAC7-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,13,15,17,19-nonaen-10-one
SMILESO=c1c2cc(O)ccc2nc2n1Cc1cc3ccccc3nc1-2
InChIInChI=1S/C18H11N3O2/c22-12-5-6-15-13(8-12)18(23)21-9-11-7-10-3-1-2-4-14(10)19-16(11)17(21)20-15/h1-8,22H,9H2
InChIKeySRCMGWZWSYYWCF-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.68
Rot. Bonds

About 7-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,13,15,17,19-nonaen-10-one

7-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,13,15,17,19-nonaen-10-one (PubChem CID 135409754) has the molecular formula C18H11N3O2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 7-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,13,15,17,19-nonaen-10-one.

Molecular Properties

Compound Name7-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,13,15,17,19-nonaen-10-one
PubChem CID135409754
Molecular FormulaC18H11N3O2
Molecular Weight301.31 g/mol
Exact Mass301.09
IUPAC Name7-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,13,15,17,19-nonaen-10-one
SMILESO=c1c2cc(O)ccc2nc2n1Cc1cc3ccccc3nc1-2
InChIInChI=1S/C18H11N3O2/c22-12-5-6-15-13(8-12)18(23)21-9-11-7-10-3-1-2-4-14(10)19-16(11)17(21)20-15/h1-8,22H,9H2
InChIKeySRCMGWZWSYYWCF-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 7-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,13,15,17,19-nonaen-10-one with MolForge

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Related Compounds

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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
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1,2,3,4-Tetrahydropyrido[3,4-b]indole 11
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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
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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,13,15,17,19-nonaen-10-one?
The IUPAC name of 7-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,13,15,17,19-nonaen-10-one (CID 135409754) is 7-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,13,15,17,19-nonaen-10-one.
What is the SMILES notation for 7-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,13,15,17,19-nonaen-10-one?
The canonical SMILES for 7-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,13,15,17,19-nonaen-10-one is O=c1c2cc(O)ccc2nc2n1Cc1cc3ccccc3nc1-2.
What is the InChIKey of 7-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,13,15,17,19-nonaen-10-one?
The InChIKey is SRCMGWZWSYYWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O2/c22-12-5-6-15-13(8-12)18(23)21-9-11-7-10-3-1-2-4-14(10)19-16(11)17(21)20-15/h1-8,22H,9H2.
What are the key properties of 7-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,13,15,17,19-nonaen-10-one?
7-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,13,15,17,19-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 7-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,13,15,17,19-nonaen-10-one is sourced from PubChem (CID 135409754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).