12-ethyl-17-(hydroxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one

C20H24N2O2 — CID 56677528

IUPAC12-ethyl-17-(hydroxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one
SMILESCCC12CCCn3c(CO)cc(c31)-c1ccccc1NC(=O)CC2
InChIInChI=1S/C20H24N2O2/c1-2-20-9-5-11-22-14(13-23)12-16(19(20)22)15-6-3-4-7-17(15)21-18(24)8-10-20/h3-4,6-7,12,23H,2,5,8-11,13H2,1H3,(H,21,24)
InChIKeyMFNKGJVBPOITBB-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.82
Rot. Bonds2

About 12-ethyl-17-(hydroxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one

12-ethyl-17-(hydroxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one (PubChem CID 56677528) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 12-ethyl-17-(hydroxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one.

Molecular Properties

Compound Name12-ethyl-17-(hydroxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one
PubChem CID56677528
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name12-ethyl-17-(hydroxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one
SMILESCCC12CCCn3c(CO)cc(c31)-c1ccccc1NC(=O)CC2
InChIInChI=1S/C20H24N2O2/c1-2-20-9-5-11-22-14(13-23)12-16(19(20)22)15-6-3-4-7-17(15)21-18(24)8-10-20/h3-4,6-7,12,23H,2,5,8-11,13H2,1H3,(H,21,24)
InChIKeyMFNKGJVBPOITBB-UHFFFAOYSA-N
XLogP3.82
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-ethyl-17-(hydroxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one?
The IUPAC name of 12-ethyl-17-(hydroxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one (CID 56677528) is 12-ethyl-17-(hydroxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one.
What is the SMILES notation for 12-ethyl-17-(hydroxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one?
The canonical SMILES for 12-ethyl-17-(hydroxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one is CCC12CCCn3c(CO)cc(c31)-c1ccccc1NC(=O)CC2.
What is the InChIKey of 12-ethyl-17-(hydroxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one?
The InChIKey is MFNKGJVBPOITBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-20-9-5-11-22-14(13-23)12-16(19(20)22)15-6-3-4-7-17(15)21-18(24)8-10-20/h3-4,6-7,12,23H,2,5,8-11,13H2,1H3,(H,21,24).
What are the key properties of 12-ethyl-17-(hydroxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one?
12-ethyl-17-(hydroxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one has a molecular weight of 324.42 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-17-(hydroxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one is sourced from PubChem (CID 56677528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).