(13S,15R)-15-ethyl-13-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-19-one

C19H24N2O2 — CID 46848462

IUPAC(13S,15R)-15-ethyl-13-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-19-one
SMILESCC[C@@]12CCCN(CCc3c([nH]c4ccccc34)[C@@H](O)C1)C2=O
InChIInChI=1S/C19H24N2O2/c1-2-19-9-5-10-21(18(19)23)11-8-14-13-6-3-4-7-15(13)20-17(14)16(22)12-19/h3-4,6-7,16,20,22H,2,5,8-12H2,1H3/t16-,19+/m0/s1
InChIKeyHIUHFJGIFLYTMT-QFBILLFUSA-N
MW312.41 g/mol
LogP3.17
Rot. Bonds1

About (13S,15R)-15-ethyl-13-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-19-one

(13S,15R)-15-ethyl-13-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-19-one (PubChem CID 46848462) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (13S,15R)-15-ethyl-13-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-19-one.

Molecular Properties

Compound Name(13S,15R)-15-ethyl-13-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-19-one
PubChem CID46848462
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(13S,15R)-15-ethyl-13-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-19-one
SMILESCC[C@@]12CCCN(CCc3c([nH]c4ccccc34)[C@@H](O)C1)C2=O
InChIInChI=1S/C19H24N2O2/c1-2-19-9-5-10-21(18(19)23)11-8-14-13-6-3-4-7-15(13)20-17(14)16(22)12-19/h3-4,6-7,16,20,22H,2,5,8-12H2,1H3/t16-,19+/m0/s1
InChIKeyHIUHFJGIFLYTMT-QFBILLFUSA-N
XLogP3.17
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (13S,15R)-15-ethyl-13-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-19-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

2-Acetyl-1,1-dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
CID 326788
2-Acetyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
CID 3153600
2-Acetyl-1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
CID 3089153
(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
(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
3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-propan-2-ylindol-2-one
CID 2949657
3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid
CID 16195518
(3S)-2-[(2S)-2-amino-4-methylpentanoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
CID 46201884
(3S)-2-[(2S,3S)-2-amino-3-methylpentanoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
CID 46201885
(3S)-2-[(2S)-2-aminopropanoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
CID 46206422
(3S)-2-[(2S)-2-amino-3-methylbutanoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
CID 46206424

Frequently Asked Questions

What is the IUPAC name of (13S,15R)-15-ethyl-13-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-19-one?
The IUPAC name of (13S,15R)-15-ethyl-13-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-19-one (CID 46848462) is (13S,15R)-15-ethyl-13-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-19-one.
What is the SMILES notation for (13S,15R)-15-ethyl-13-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-19-one?
The canonical SMILES for (13S,15R)-15-ethyl-13-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-19-one is CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)[C@@H](O)C1)C2=O.
What is the InChIKey of (13S,15R)-15-ethyl-13-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-19-one?
The InChIKey is HIUHFJGIFLYTMT-QFBILLFUSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-19-9-5-10-21(18(19)23)11-8-14-13-6-3-4-7-15(13)20-17(14)16(22)12-19/h3-4,6-7,16,20,22H,2,5,8-12H2,1H3/t16-,19+/m0/s1.
What are the key properties of (13S,15R)-15-ethyl-13-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-19-one?
(13S,15R)-15-ethyl-13-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-19-one has a molecular weight of 312.41 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (13S,15R)-15-ethyl-13-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-19-one is sourced from PubChem (CID 46848462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).