(15R,19S,21S)-18-oxa-1,11-diazahexacyclo[9.8.2.115,19.02,7.08,20.015,21]docosa-2,4,6,8(20)-tetraene

C19H22N2O — CID 11087694

IUPAC(15R,19S,21S)-18-oxa-1,11-diazahexacyclo[9.8.2.115,19.02,7.08,20.015,21]docosa-2,4,6,8(20)-tetraene
SMILESc1ccc2c(c1)c1c3n2[C@@H]2C[C@@]4(CCCN(CC1)[C@H]34)CCO2
InChIInChI=1S/C19H22N2O/c1-2-5-15-13(4-1)14-6-10-20-9-3-7-19-8-11-22-16(12-19)21(15)17(14)18(19)20/h1-2,4-5,16,18H,3,6-12H2/t16-,18+,19+/m0/s1
InChIKeyJWJLMBUDXBZVLW-QXAKKESOSA-N
MW294.40 g/mol
LogP3.64
Rot. Bonds

About (15R,19S,21S)-18-oxa-1,11-diazahexacyclo[9.8.2.115,19.02,7.08,20.015,21]docosa-2,4,6,8(20)-tetraene

(15R,19S,21S)-18-oxa-1,11-diazahexacyclo[9.8.2.115,19.02,7.08,20.015,21]docosa-2,4,6,8(20)-tetraene (PubChem CID 11087694) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (15R,19S,21S)-18-oxa-1,11-diazahexacyclo[9.8.2.115,19.02,7.08,20.015,21]docosa-2,4,6,8(20)-tetraene.

Molecular Properties

Compound Name(15R,19S,21S)-18-oxa-1,11-diazahexacyclo[9.8.2.115,19.02,7.08,20.015,21]docosa-2,4,6,8(20)-tetraene
PubChem CID11087694
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(15R,19S,21S)-18-oxa-1,11-diazahexacyclo[9.8.2.115,19.02,7.08,20.015,21]docosa-2,4,6,8(20)-tetraene
SMILESc1ccc2c(c1)c1c3n2[C@@H]2C[C@@]4(CCCN(CC1)[C@H]34)CCO2
InChIInChI=1S/C19H22N2O/c1-2-5-15-13(4-1)14-6-10-20-9-3-7-19-8-11-22-16(12-19)21(15)17(14)18(19)20/h1-2,4-5,16,18H,3,6-12H2/t16-,18+,19+/m0/s1
InChIKeyJWJLMBUDXBZVLW-QXAKKESOSA-N
XLogP3.64
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (15R,19S,21S)-18-oxa-1,11-diazahexacyclo[9.8.2.115,19.02,7.08,20.015,21]docosa-2,4,6,8(20)-tetraene with MolForge

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Related Compounds

15-ethyl-17-methyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene
CID 14825826
(15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)methanol
CID 628233
(15R,17S,19S)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
CID 11045206
15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
CID 73006730
(15S,16R,17R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-16,17-diol
CID 44613905
1-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 70622750
methyl (15S,17S,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
CID 10472322
(1R)-1-[(15S,17S,19R)-17-ethoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-15-yl]ethanol
CID 127030479
(15S,16R,18S,20S)-16-methyl-17-oxa-1,11-diazahexacyclo[9.7.2.115,18.02,7.08,19.015,20]henicosa-2,4,6,8(19),13-pentaene
CID 71501404
(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene
CID 15559073
(15S,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene
CID 15559074
[(15R,17R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]methyl benzoate
CID 70394529

Frequently Asked Questions

What is the IUPAC name of (15R,19S,21S)-18-oxa-1,11-diazahexacyclo[9.8.2.115,19.02,7.08,20.015,21]docosa-2,4,6,8(20)-tetraene?
The IUPAC name of (15R,19S,21S)-18-oxa-1,11-diazahexacyclo[9.8.2.115,19.02,7.08,20.015,21]docosa-2,4,6,8(20)-tetraene (CID 11087694) is (15R,19S,21S)-18-oxa-1,11-diazahexacyclo[9.8.2.115,19.02,7.08,20.015,21]docosa-2,4,6,8(20)-tetraene.
What is the SMILES notation for (15R,19S,21S)-18-oxa-1,11-diazahexacyclo[9.8.2.115,19.02,7.08,20.015,21]docosa-2,4,6,8(20)-tetraene?
The canonical SMILES for (15R,19S,21S)-18-oxa-1,11-diazahexacyclo[9.8.2.115,19.02,7.08,20.015,21]docosa-2,4,6,8(20)-tetraene is c1ccc2c(c1)c1c3n2[C@@H]2C[C@@]4(CCCN(CC1)[C@H]34)CCO2.
What is the InChIKey of (15R,19S,21S)-18-oxa-1,11-diazahexacyclo[9.8.2.115,19.02,7.08,20.015,21]docosa-2,4,6,8(20)-tetraene?
The InChIKey is JWJLMBUDXBZVLW-QXAKKESOSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-5-15-13(4-1)14-6-10-20-9-3-7-19-8-11-22-16(12-19)21(15)17(14)18(19)20/h1-2,4-5,16,18H,3,6-12H2/t16-,18+,19+/m0/s1.
What are the key properties of (15R,19S,21S)-18-oxa-1,11-diazahexacyclo[9.8.2.115,19.02,7.08,20.015,21]docosa-2,4,6,8(20)-tetraene?
(15R,19S,21S)-18-oxa-1,11-diazahexacyclo[9.8.2.115,19.02,7.08,20.015,21]docosa-2,4,6,8(20)-tetraene has a molecular weight of 294.40 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (15R,19S,21S)-18-oxa-1,11-diazahexacyclo[9.8.2.115,19.02,7.08,20.015,21]docosa-2,4,6,8(20)-tetraene is sourced from PubChem (CID 11087694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).