(10R,11R)-14-(3H-inden-1-yl)-10-(1H-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,14-pentaen-13-one

C30H20N2O2 — CID 163648256

IUPAC(10R,11R)-14-(3H-inden-1-yl)-10-(1H-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,14-pentaen-13-one
SMILESO=C1O[C@H]2C(=C1C1=CCc3ccccc31)c1c([nH]c3ccccc13)[C@H]2c1c[nH]c2ccccc12
InChIInChI=1S/C30H20N2O2/c33-30-25(19-14-13-16-7-1-2-8-17(16)19)27-24-20-10-4-6-12-23(20)32-28(24)26(29(27)34-30)21-15-31-22-11-5-3-9-18(21)22/h1-12,14-15,26,29,31-32H,13H2/t26-,29-/m1/s1
InChIKeyWQZHLJFHUCYQQB-GGXMVOPNSA-N
MW440.50 g/mol
LogP6.11
Rot. Bonds2

About (10R,11R)-14-(3H-inden-1-yl)-10-(1H-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,14-pentaen-13-one

(10R,11R)-14-(3H-inden-1-yl)-10-(1H-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,14-pentaen-13-one (PubChem CID 163648256) has the molecular formula C30H20N2O2 and a molecular weight of 440.50 g/mol. Its IUPAC name is (10R,11R)-14-(3H-inden-1-yl)-10-(1H-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,14-pentaen-13-one.

Molecular Properties

Compound Name(10R,11R)-14-(3H-inden-1-yl)-10-(1H-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,14-pentaen-13-one
PubChem CID163648256
Molecular FormulaC30H20N2O2
Molecular Weight440.50 g/mol
Exact Mass440.15
IUPAC Name(10R,11R)-14-(3H-inden-1-yl)-10-(1H-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,14-pentaen-13-one
SMILESO=C1O[C@H]2C(=C1C1=CCc3ccccc31)c1c([nH]c3ccccc13)[C@H]2c1c[nH]c2ccccc12
InChIInChI=1S/C30H20N2O2/c33-30-25(19-14-13-16-7-1-2-8-17(16)19)27-24-20-10-4-6-12-23(20)32-28(24)26(29(27)34-30)21-15-31-22-11-5-3-9-18(21)22/h1-12,14-15,26,29,31-32H,13H2/t26-,29-/m1/s1
InChIKeyWQZHLJFHUCYQQB-GGXMVOPNSA-N
XLogP6.11
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (10R,11R)-14-(3H-inden-1-yl)-10-(1H-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,14-pentaen-13-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10R,11R)-14-(3H-inden-1-yl)-10-(1H-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,14-pentaen-13-one?
The IUPAC name of (10R,11R)-14-(3H-inden-1-yl)-10-(1H-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,14-pentaen-13-one (CID 163648256) is (10R,11R)-14-(3H-inden-1-yl)-10-(1H-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,14-pentaen-13-one.
What is the SMILES notation for (10R,11R)-14-(3H-inden-1-yl)-10-(1H-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,14-pentaen-13-one?
The canonical SMILES for (10R,11R)-14-(3H-inden-1-yl)-10-(1H-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,14-pentaen-13-one is O=C1O[C@H]2C(=C1C1=CCc3ccccc31)c1c([nH]c3ccccc13)[C@H]2c1c[nH]c2ccccc12.
What is the InChIKey of (10R,11R)-14-(3H-inden-1-yl)-10-(1H-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,14-pentaen-13-one?
The InChIKey is WQZHLJFHUCYQQB-GGXMVOPNSA-N. The full InChI is InChI=1S/C30H20N2O2/c33-30-25(19-14-13-16-7-1-2-8-17(16)19)27-24-20-10-4-6-12-23(20)32-28(24)26(29(27)34-30)21-15-31-22-11-5-3-9-18(21)22/h1-12,14-15,26,29,31-32H,13H2/t26-,29-/m1/s1.
What are the key properties of (10R,11R)-14-(3H-inden-1-yl)-10-(1H-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,14-pentaen-13-one?
(10R,11R)-14-(3H-inden-1-yl)-10-(1H-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,14-pentaen-13-one has a molecular weight of 440.50 g/mol, XLogP of 6.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,11R)-14-(3H-inden-1-yl)-10-(1H-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,14-pentaen-13-one is sourced from PubChem (CID 163648256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).