6-hydroxy-5,7,10-trimethyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),2,5,7,9,13,15,17-octaen-4-one

C20H17NO2 — CID 91810447

IUPAC6-hydroxy-5,7,10-trimethyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),2,5,7,9,13,15,17-octaen-4-one
SMILESCc1c2cc(C)c3[nH]c4ccccc4c3cc-2c(=O)c(C)c1O
InChIInChI=1S/C20H17NO2/c1-10-8-14-11(2)19(22)12(3)20(23)16(14)9-15-13-6-4-5-7-17(13)21-18(10)15/h4-9,21-22H,1-3H3
InChIKeyHSRQMCMJLZXQFK-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.42
Rot. Bonds

About 6-hydroxy-5,7,10-trimethyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),2,5,7,9,13,15,17-octaen-4-one

6-hydroxy-5,7,10-trimethyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),2,5,7,9,13,15,17-octaen-4-one (PubChem CID 91810447) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 6-hydroxy-5,7,10-trimethyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),2,5,7,9,13,15,17-octaen-4-one.

Molecular Properties

Compound Name6-hydroxy-5,7,10-trimethyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),2,5,7,9,13,15,17-octaen-4-one
PubChem CID91810447
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name6-hydroxy-5,7,10-trimethyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),2,5,7,9,13,15,17-octaen-4-one
SMILESCc1c2cc(C)c3[nH]c4ccccc4c3cc-2c(=O)c(C)c1O
InChIInChI=1S/C20H17NO2/c1-10-8-14-11(2)19(22)12(3)20(23)16(14)9-15-13-6-4-5-7-17(13)21-18(10)15/h4-9,21-22H,1-3H3
InChIKeyHSRQMCMJLZXQFK-UHFFFAOYSA-N
XLogP4.42
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-hydroxy-5,7,10-trimethyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),2,5,7,9,13,15,17-octaen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5,7,10-trimethyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),2,5,7,9,13,15,17-octaen-4-one?
The IUPAC name of 6-hydroxy-5,7,10-trimethyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),2,5,7,9,13,15,17-octaen-4-one (CID 91810447) is 6-hydroxy-5,7,10-trimethyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),2,5,7,9,13,15,17-octaen-4-one.
What is the SMILES notation for 6-hydroxy-5,7,10-trimethyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),2,5,7,9,13,15,17-octaen-4-one?
The canonical SMILES for 6-hydroxy-5,7,10-trimethyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),2,5,7,9,13,15,17-octaen-4-one is Cc1c2cc(C)c3[nH]c4ccccc4c3cc-2c(=O)c(C)c1O.
What is the InChIKey of 6-hydroxy-5,7,10-trimethyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),2,5,7,9,13,15,17-octaen-4-one?
The InChIKey is HSRQMCMJLZXQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-10-8-14-11(2)19(22)12(3)20(23)16(14)9-15-13-6-4-5-7-17(13)21-18(10)15/h4-9,21-22H,1-3H3.
What are the key properties of 6-hydroxy-5,7,10-trimethyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),2,5,7,9,13,15,17-octaen-4-one?
6-hydroxy-5,7,10-trimethyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),2,5,7,9,13,15,17-octaen-4-one has a molecular weight of 303.36 g/mol, XLogP of 4.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5,7,10-trimethyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),2,5,7,9,13,15,17-octaen-4-one is sourced from PubChem (CID 91810447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).