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14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-9-ol

C19H12N2O — CID 146639537

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-9-ol
SMILESOc1cccc2c1c1ccccc1c1nc3ccccc3n21
InChIInChI=1S/C19H12N2O/c22-17-11-5-10-16-18(17)12-6-1-2-7-13(12)19-20-14-8-3-4-9-15(14)21(16)19/h1-11,22H
InChIKeyAUOOUKHKKIVOKW-UHFFFAOYSA-N
MW284.32 g/mol
LogP4.50
Rot. Bonds

About 14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-9-ol

14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-9-ol (PubChem CID 146639537) has the molecular formula C19H12N2O and a molecular weight of 284.32 g/mol. Its IUPAC name is 14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-9-ol.

Molecular Properties

Compound Name14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-9-ol
PubChem CID146639537
Molecular FormulaC19H12N2O
Molecular Weight284.32 g/mol
Exact Mass284.09
IUPAC Name14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-9-ol
SMILESOc1cccc2c1c1ccccc1c1nc3ccccc3n21
InChIInChI=1S/C19H12N2O/c22-17-11-5-10-16-18(17)12-6-1-2-7-13(12)19-20-14-8-3-4-9-15(14)21(16)19/h1-11,22H
InChIKeyAUOOUKHKKIVOKW-UHFFFAOYSA-N
XLogP4.50
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-9-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-9-ol?
The IUPAC name of 14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-9-ol (CID 146639537) is 14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-9-ol.
What is the SMILES notation for 14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-9-ol?
The canonical SMILES for 14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-9-ol is Oc1cccc2c1c1ccccc1c1nc3ccccc3n21.
What is the InChIKey of 14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-9-ol?
The InChIKey is AUOOUKHKKIVOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O/c22-17-11-5-10-16-18(17)12-6-1-2-7-13(12)19-20-14-8-3-4-9-15(14)21(16)19/h1-11,22H.
What are the key properties of 14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-9-ol?
14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-9-ol has a molecular weight of 284.32 g/mol, XLogP of 4.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-9-ol is sourced from PubChem (CID 146639537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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