(15S,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-17-ol

C19H26N2O — CID 102399433

IUPAC(15S,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-17-ol
SMILESCC[C@@]1(O)C[C@@H]2CCc3[nH]c4ccccc4c3CCN(C2)C1
InChIInChI=1S/C19H26N2O/c1-2-19(22)11-14-7-8-18-16(9-10-21(12-14)13-19)15-5-3-4-6-17(15)20-18/h3-6,14,20,22H,2,7-13H2,1H3/t14-,19+/m0/s1
InChIKeyLVAFECUUEHXVBF-IFXJQAMLSA-N
MW298.43 g/mol
LogP3.12
Rot. Bonds1

About (15S,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-17-ol

(15S,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-17-ol (PubChem CID 102399433) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is (15S,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-17-ol.

Molecular Properties

Compound Name(15S,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-17-ol
PubChem CID102399433
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name(15S,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-17-ol
SMILESCC[C@@]1(O)C[C@@H]2CCc3[nH]c4ccccc4c3CCN(C2)C1
InChIInChI=1S/C19H26N2O/c1-2-19(22)11-14-7-8-18-16(9-10-21(12-14)13-19)15-5-3-4-6-17(15)20-18/h3-6,14,20,22H,2,7-13H2,1H3/t14-,19+/m0/s1
InChIKeyLVAFECUUEHXVBF-IFXJQAMLSA-N
XLogP3.12
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

16-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene
CID 163002483
3-methyl-5-phenyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole
CID 11695189
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
1-methyl-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)piperidin-3-ol
CID 56729983
methyl (16R,18S)-18-ethyl-14-[(1R,16R,17R,18S,20R)-16-ethyl-18-(hydrazinecarbonyl)-17,18-dihydroxy-5-methoxy-2,12-diazatetracyclo[10.6.2.03,8.016,20]icosa-3,5,7,14-tetraen-6-yl]-18-hydroxy-1,11-diazatetracyclo[14.3.1.04,12.05,10]icosa-4(12),5,7,9-tetraene-14-carboxylate
CID 139394053
N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 69179589
(1R,10S,11R,12R)-12-ethyl-4-[(13R)-17-ethyl-17-hydroxy-13-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-5,8,10-trimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10,11-diol
CID 59608369
3-propyl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335334
(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285
3-methyl-4-propyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 177206921
methyl (1R,9R,10R,12S,20S)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.7.1.01,9.02,7.016,20]icosa-2,4,6-triene-10-carboxylate
CID 71577833
N-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203560

Frequently Asked Questions

What is the IUPAC name of (15S,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-17-ol?
The IUPAC name of (15S,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-17-ol (CID 102399433) is (15S,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-17-ol.
What is the SMILES notation for (15S,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-17-ol?
The canonical SMILES for (15S,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-17-ol is CC[C@@]1(O)C[C@@H]2CCc3[nH]c4ccccc4c3CCN(C2)C1.
What is the InChIKey of (15S,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-17-ol?
The InChIKey is LVAFECUUEHXVBF-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H26N2O/c1-2-19(22)11-14-7-8-18-16(9-10-21(12-14)13-19)15-5-3-4-6-17(15)20-18/h3-6,14,20,22H,2,7-13H2,1H3/t14-,19+/m0/s1.
What are the key properties of (15S,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-17-ol?
(15S,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-17-ol has a molecular weight of 298.43 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (15S,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-17-ol is sourced from PubChem (CID 102399433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).