11-(6-methoxy-1-methylindole-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C22H27N3O3 — CID 171152557

IUPAC11-(6-methoxy-1-methylindole-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCOc1ccc2cc(C(=O)N3CC4CC(C3)C3CCCC(=O)N3C4)n(C)c2c1
InChIInChI=1S/C22H27N3O3/c1-23-19-10-17(28-2)7-6-15(19)9-20(23)22(27)24-11-14-8-16(13-24)18-4-3-5-21(26)25(18)12-14/h6-7,9-10,14,16,18H,3-5,8,11-13H2,1-2H3
InChIKeyBRTJPWSEVDLZHZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.66
Rot. Bonds2

About 11-(6-methoxy-1-methylindole-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

11-(6-methoxy-1-methylindole-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 171152557) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 11-(6-methoxy-1-methylindole-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name11-(6-methoxy-1-methylindole-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID171152557
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name11-(6-methoxy-1-methylindole-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCOc1ccc2cc(C(=O)N3CC4CC(C3)C3CCCC(=O)N3C4)n(C)c2c1
InChIInChI=1S/C22H27N3O3/c1-23-19-10-17(28-2)7-6-15(19)9-20(23)22(27)24-11-14-8-16(13-24)18-4-3-5-21(26)25(18)12-14/h6-7,9-10,14,16,18H,3-5,8,11-13H2,1-2H3
InChIKeyBRTJPWSEVDLZHZ-UHFFFAOYSA-N
XLogP2.66
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-(6-methoxy-1-methylindole-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(6-methoxy-1-methylindole-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of 11-(6-methoxy-1-methylindole-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 171152557) is 11-(6-methoxy-1-methylindole-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for 11-(6-methoxy-1-methylindole-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for 11-(6-methoxy-1-methylindole-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is COc1ccc2cc(C(=O)N3CC4CC(C3)C3CCCC(=O)N3C4)n(C)c2c1.
What is the InChIKey of 11-(6-methoxy-1-methylindole-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is BRTJPWSEVDLZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-23-19-10-17(28-2)7-6-15(19)9-20(23)22(27)24-11-14-8-16(13-24)18-4-3-5-21(26)25(18)12-14/h6-7,9-10,14,16,18H,3-5,8,11-13H2,1-2H3.
What are the key properties of 11-(6-methoxy-1-methylindole-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
11-(6-methoxy-1-methylindole-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 381.48 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(6-methoxy-1-methylindole-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 171152557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).