(1R,9R,12S,14S,19R)-14-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-17-one

C19H24N2O — CID 23258257

IUPAC(1R,9R,12S,14S,19R)-14-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-17-one
SMILESCC[C@H]1C[C@@H]2CC[C@H]3Nc4ccccc4[C@]34CC(=O)N(C1)[C@H]24
InChIInChI=1S/C19H24N2O/c1-2-12-9-13-7-8-16-19(10-17(22)21(11-12)18(13)19)14-5-3-4-6-15(14)20-16/h3-6,12-13,16,18,20H,2,7-11H2,1H3/t12-,13-,16+,18+,19+/m0/s1
InChIKeyWOMBXRJFTPGALV-HRRIWVOMSA-N
MW296.41 g/mol
LogP3.16
Rot. Bonds1

About (1R,9R,12S,14S,19R)-14-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-17-one

(1R,9R,12S,14S,19R)-14-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-17-one (PubChem CID 23258257) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (1R,9R,12S,14S,19R)-14-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-17-one.

Molecular Properties

Compound Name(1R,9R,12S,14S,19R)-14-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-17-one
PubChem CID23258257
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(1R,9R,12S,14S,19R)-14-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-17-one
SMILESCC[C@H]1C[C@@H]2CC[C@H]3Nc4ccccc4[C@]34CC(=O)N(C1)[C@H]24
InChIInChI=1S/C19H24N2O/c1-2-12-9-13-7-8-16-19(10-17(22)21(11-12)18(13)19)14-5-3-4-6-15(14)20-16/h3-6,12-13,16,18,20H,2,7-11H2,1H3/t12-,13-,16+,18+,19+/m0/s1
InChIKeyWOMBXRJFTPGALV-HRRIWVOMSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,9R,12S,14S,19R)-14-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-17-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (1R,9S,12R,19R)-11-hydroxy-17-oxo-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,10-tetraene-10-carboxylate
CID 54685127
(3S)-3-[(1S,5R)-5-ethyl-2-oxocyclohexyl]-3-hydroxy-1H-indol-2-one
CID 1240751
(1S,9R,10S,11S,12S,17S)-12-ethyl-10-methyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene
CID 11870894
(1R,9R,12R,19R)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-triene
CID 139050168
(1S,9S,12S,19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-triene
CID 10085201
3-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
CID 106779729
2-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
CID 65042054
(1S,9S,11S,17S)-12-ethyl-10-methylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene
CID 22213551
methyl (1R,9R,12R,19S)-12-ethyl-13-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-triene-13-carboxylate
CID 173447867
1-cyclopropyl-3-ethylcyclobutane
CID 123813009
(6S,8R,8aS)-6-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 102151511
3,3-dibromo-2-ethyl-1,2-dihydroindole
CID 176573837

Frequently Asked Questions

What is the IUPAC name of (1R,9R,12S,14S,19R)-14-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-17-one?
The IUPAC name of (1R,9R,12S,14S,19R)-14-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-17-one (CID 23258257) is (1R,9R,12S,14S,19R)-14-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-17-one.
What is the SMILES notation for (1R,9R,12S,14S,19R)-14-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-17-one?
The canonical SMILES for (1R,9R,12S,14S,19R)-14-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-17-one is CC[C@H]1C[C@@H]2CC[C@H]3Nc4ccccc4[C@]34CC(=O)N(C1)[C@H]24.
What is the InChIKey of (1R,9R,12S,14S,19R)-14-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-17-one?
The InChIKey is WOMBXRJFTPGALV-HRRIWVOMSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-12-9-13-7-8-16-19(10-17(22)21(11-12)18(13)19)14-5-3-4-6-15(14)20-16/h3-6,12-13,16,18,20H,2,7-11H2,1H3/t12-,13-,16+,18+,19+/m0/s1.
What are the key properties of (1R,9R,12S,14S,19R)-14-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-17-one?
(1R,9R,12S,14S,19R)-14-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-17-one has a molecular weight of 296.41 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,12S,14S,19R)-14-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-17-one is sourced from PubChem (CID 23258257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).