(1S,10R,11S,16R)-10,12-dimethoxy-15-azatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8,12-pentaen-14-one

C17H17NO3 — CID 10636703

IUPAC(1S,10R,11S,16R)-10,12-dimethoxy-15-azatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8,12-pentaen-14-one
SMILESCOC1=CC(=O)N[C@H]2[C@@H]1[C@@]1(OC)C=Cc3ccccc3[C@@H]21
InChIInChI=1S/C17H17NO3/c1-20-12-9-13(19)18-16-14-11-6-4-3-5-10(11)7-8-17(14,21-2)15(12)16/h3-9,14-16H,1-2H3,(H,18,19)/t14-,15+,16+,17+/m0/s1
InChIKeyVEUNNQYCQXUIEE-YLFCFFPRSA-N
MW283.33 g/mol
LogP1.84
Rot. Bonds2

About (1S,10R,11S,16R)-10,12-dimethoxy-15-azatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8,12-pentaen-14-one

(1S,10R,11S,16R)-10,12-dimethoxy-15-azatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8,12-pentaen-14-one (PubChem CID 10636703) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (1S,10R,11S,16R)-10,12-dimethoxy-15-azatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8,12-pentaen-14-one.

Molecular Properties

Compound Name(1S,10R,11S,16R)-10,12-dimethoxy-15-azatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8,12-pentaen-14-one
PubChem CID10636703
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(1S,10R,11S,16R)-10,12-dimethoxy-15-azatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8,12-pentaen-14-one
SMILESCOC1=CC(=O)N[C@H]2[C@@H]1[C@@]1(OC)C=Cc3ccccc3[C@@H]21
InChIInChI=1S/C17H17NO3/c1-20-12-9-13(19)18-16-14-11-6-4-3-5-10(11)7-8-17(14,21-2)15(12)16/h3-9,14-16H,1-2H3,(H,18,19)/t14-,15+,16+,17+/m0/s1
InChIKeyVEUNNQYCQXUIEE-YLFCFFPRSA-N
XLogP1.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,10R,11S,16R)-10,12-dimethoxy-15-azatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8,12-pentaen-14-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,10R,11S,16R)-10,12-dimethoxy-15-azatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8,12-pentaen-14-one?
The IUPAC name of (1S,10R,11S,16R)-10,12-dimethoxy-15-azatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8,12-pentaen-14-one (CID 10636703) is (1S,10R,11S,16R)-10,12-dimethoxy-15-azatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8,12-pentaen-14-one.
What is the SMILES notation for (1S,10R,11S,16R)-10,12-dimethoxy-15-azatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8,12-pentaen-14-one?
The canonical SMILES for (1S,10R,11S,16R)-10,12-dimethoxy-15-azatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8,12-pentaen-14-one is COC1=CC(=O)N[C@H]2[C@@H]1[C@@]1(OC)C=Cc3ccccc3[C@@H]21.
What is the InChIKey of (1S,10R,11S,16R)-10,12-dimethoxy-15-azatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8,12-pentaen-14-one?
The InChIKey is VEUNNQYCQXUIEE-YLFCFFPRSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-12-9-13(19)18-16-14-11-6-4-3-5-10(11)7-8-17(14,21-2)15(12)16/h3-9,14-16H,1-2H3,(H,18,19)/t14-,15+,16+,17+/m0/s1.
What are the key properties of (1S,10R,11S,16R)-10,12-dimethoxy-15-azatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8,12-pentaen-14-one?
(1S,10R,11S,16R)-10,12-dimethoxy-15-azatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8,12-pentaen-14-one has a molecular weight of 283.33 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10R,11S,16R)-10,12-dimethoxy-15-azatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8,12-pentaen-14-one is sourced from PubChem (CID 10636703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).