(1R,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-15-ol

C19H24N2O — CID 139467809

IUPAC(1R,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-15-ol
SMILESCC[C@H]1C[C@]2(O)C[C@H]3c4[nH]c5ccccc5c4CCN(C2)[C@@H]13
InChIInChI=1S/C19H24N2O/c1-2-12-9-19(22)10-15-17-14(7-8-21(11-19)18(12)15)13-5-3-4-6-16(13)20-17/h3-6,12,15,18,20,22H,2,7-11H2,1H3/t12-,15-,18-,19-/m0/s1
InChIKeyUEGCOXZXPQRVIN-IHUDTTQWSA-N
MW296.41 g/mol
LogP3.04
Rot. Bonds1

About (1R,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-15-ol

(1R,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-15-ol (PubChem CID 139467809) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (1R,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-15-ol.

Molecular Properties

Compound Name(1R,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-15-ol
PubChem CID139467809
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(1R,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-15-ol
SMILESCC[C@H]1C[C@]2(O)C[C@H]3c4[nH]c5ccccc5c4CCN(C2)[C@@H]13
InChIInChI=1S/C19H24N2O/c1-2-12-9-19(22)10-15-17-14(7-8-21(11-19)18(12)15)13-5-3-4-6-16(13)20-17/h3-6,12,15,18,20,22H,2,7-11H2,1H3/t12-,15-,18-,19-/m0/s1
InChIKeyUEGCOXZXPQRVIN-IHUDTTQWSA-N
XLogP3.04
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-15-ol with MolForge

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Related Compounds

17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-17-ol
CID 73152734
(3S,12bS)-3-ethyl-3-hydroxy-1,4,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-2-one
CID 10755492
(2S,3S,12bS)-2-[(Z)-but-2-en-2-yl]-12b-deuterio-3-ethyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizine
CID 165020189
(1R,15S,17R,18R)-17-ethyl-17-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene
CID 139467483
17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-ol
CID 162901586
(1R,15S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
CID 70800104
(1R,15S,17S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
CID 69029446
1-(3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-17-yl)ethanol
CID 73009182
(1S)-1-[(1S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]propan-1-ol
CID 24840664
[(15S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-1-yl]-methoxymethanol
CID 170182581
3-(1-ethyl-2,3,5,6,11,11b-hexahydroindolizino[8,7-b]indol-1-yl)propanoic acid
CID 70534301
(15S)-17-methyl-15-(2-methylbutyl)-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4,6,8-tetraene
CID 146507207

Frequently Asked Questions

What is the IUPAC name of (1R,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-15-ol?
The IUPAC name of (1R,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-15-ol (CID 139467809) is (1R,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-15-ol.
What is the SMILES notation for (1R,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-15-ol?
The canonical SMILES for (1R,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-15-ol is CC[C@H]1C[C@]2(O)C[C@H]3c4[nH]c5ccccc5c4CCN(C2)[C@@H]13.
What is the InChIKey of (1R,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-15-ol?
The InChIKey is UEGCOXZXPQRVIN-IHUDTTQWSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-12-9-19(22)10-15-17-14(7-8-21(11-19)18(12)15)13-5-3-4-6-16(13)20-17/h3-6,12,15,18,20,22H,2,7-11H2,1H3/t12-,15-,18-,19-/m0/s1.
What are the key properties of (1R,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-15-ol?
(1R,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-15-ol has a molecular weight of 296.41 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-15-ol is sourced from PubChem (CID 139467809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).