(12R)-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 25227578

IUPAC(12R)-12-ethyl-17-(hydroxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one
SMILESCC[C@]12CCCn3c(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)/t20-/m1/s1
InChIKeyMFNKGJVBPOITBB-HXUWFJFHSA-N
MW324.42 g/mol
LogP3.82
Rot. Bonds2

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

(12R)-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 25227578) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (12R)-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 Name(12R)-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 CID25227578
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(12R)-12-ethyl-17-(hydroxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one
SMILESCC[C@]12CCCn3c(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)/t20-/m1/s1
InChIKeyMFNKGJVBPOITBB-HXUWFJFHSA-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

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

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Related Compounds

(12R)-12-ethyl-17-(methoxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one
CID 25227568
(12R)-17-(ethoxymethyl)-12-ethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one
CID 25227569
1H-Indole-2-carboxylic acid, 1-methyl-3-(2-((3-(4-morpholinyl)propyl)amino)-2-oxoethyl)-
CID 3075499
Rubrumline M
CID 118734977
3-(hydroxymethyl)-1,4,6,6-tetramethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide
CID 12607178
3-(hydroxymethyl)-1,4,4,6-tetramethyl-2-phenyl-5H-cyclopenta[c]pyrrole-6-carboxamide
CID 12607179
1,3-bis(hydroxymethyl)-4,6,6-trimethyl-2-phenyl-5H-cyclopenta[c]pyrrole-4-carboxamide
CID 12607184
3-[2-(Hydroxymethyl)-3-methyl-1H-indol-1-yl]propanamide
CID 21386771
Kopsiyunnanine H
CID 46848462
1-[2-(1,2-Dimethylindol-3-yl)-2-hydroxyethyl]piperidine-4-carboxamide
CID 659851
9-hydroxy-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
CID 145986216
3-[[2-[hydroxy(phenyl)methyl]-1H-indol-3-yl]methyl]-1-phenylpiperazine-2,5-dione
CID 155513446

Frequently Asked Questions

What is the IUPAC name of (12R)-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 (12R)-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 25227578) is (12R)-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 (12R)-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 (12R)-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 CC[C@]12CCCn3c(CO)cc(c31)-c1ccccc1NC(=O)CC2.
What is the InChIKey of (12R)-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-HXUWFJFHSA-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)/t20-/m1/s1.
What are the key properties of (12R)-12-ethyl-17-(hydroxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one?
(12R)-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 (12R)-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 25227578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).