2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,13,16(21),17,19-decaene

C19H12N2O — CID 175897219

IUPAC2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,13,16(21),17,19-decaene
SMILESC1=C2Cc3cccnc3C=C2Oc2cc3ncccc3cc21
InChIInChI=1S/C19H12N2O/c1-3-12-7-14-9-15-8-13-4-2-6-21-17(13)11-19(15)22-18(14)10-16(12)20-5-1/h1-7,9-11H,8H2
InChIKeyDAAUEZXYYJDDNU-UHFFFAOYSA-N
MW284.32 g/mol
LogP4.00
Rot. Bonds

About 2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,13,16(21),17,19-decaene

2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,13,16(21),17,19-decaene (PubChem CID 175897219) has the molecular formula C19H12N2O and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,13,16(21),17,19-decaene.

Molecular Properties

Compound Name2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,13,16(21),17,19-decaene
PubChem CID175897219
Molecular FormulaC19H12N2O
Molecular Weight284.32 g/mol
Exact Mass284.09
IUPAC Name2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,13,16(21),17,19-decaene
SMILESC1=C2Cc3cccnc3C=C2Oc2cc3ncccc3cc21
InChIInChI=1S/C19H12N2O/c1-3-12-7-14-9-15-8-13-4-2-6-21-17(13)11-19(15)22-18(14)10-16(12)20-5-1/h1-7,9-11H,8H2
InChIKeyDAAUEZXYYJDDNU-UHFFFAOYSA-N
XLogP4.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,13,16(21),17,19-decaene with MolForge

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Related Compounds

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CID 174566262
7-methyl-6,7,8,9-tetrahydrobenzo[g]quinoline
CID 169264544
9H-benzo[g]quinolin-9-ide
CID 102325536
8,9-dihydroquinolino[6,7-g]quinoline
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oxirane;quinoline
CID 157282028
5H-cyclopenta[b]pyridine
CID 575987
(11R,13R)-14,14-dimethyl-12,15-dioxa-7-azatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,4,6,8-pentaene
CID 59134398

Frequently Asked Questions

What is the IUPAC name of 2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,13,16(21),17,19-decaene?
The IUPAC name of 2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,13,16(21),17,19-decaene (CID 175897219) is 2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,13,16(21),17,19-decaene.
What is the SMILES notation for 2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,13,16(21),17,19-decaene?
The canonical SMILES for 2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,13,16(21),17,19-decaene is C1=C2Cc3cccnc3C=C2Oc2cc3ncccc3cc21.
What is the InChIKey of 2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,13,16(21),17,19-decaene?
The InChIKey is DAAUEZXYYJDDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O/c1-3-12-7-14-9-15-8-13-4-2-6-21-17(13)11-19(15)22-18(14)10-16(12)20-5-1/h1-7,9-11H,8H2.
What are the key properties of 2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,13,16(21),17,19-decaene?
2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,13,16(21),17,19-decaene has a molecular weight of 284.32 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,6,8,10,13,16(21),17,19-decaene is sourced from PubChem (CID 175897219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).