(10S)-10,23-diethyl-10-hydroxy-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione

C23H20N4O5 — CID 21054581

IUPAC(10S)-10,23-diethyl-10-hydroxy-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione
SMILESCCN1C(=O)Nc2cccc3nc4c(c1c23)Cn1c-4cc2c(c1=O)COC(=O)[C@]2(O)CC
InChIInChI=1S/C23H20N4O5/c1-3-23(31)13-8-16-18-11(9-27(16)20(28)12(13)10-32-21(23)29)19-17-14(24-18)6-5-7-15(17)25-22(30)26(19)4-2/h5-8,31H,3-4,9-10H2,1-2H3,(H,25,30)/t23-/m0/s1
InChIKeyXHKUWAZMCMNNAS-QHCPKHFHSA-N
MW432.44 g/mol
LogP2.45
Rot. Bonds2

About (10S)-10,23-diethyl-10-hydroxy-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione

(10S)-10,23-diethyl-10-hydroxy-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione (PubChem CID 21054581) has the molecular formula C23H20N4O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is (10S)-10,23-diethyl-10-hydroxy-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione.

Molecular Properties

Compound Name(10S)-10,23-diethyl-10-hydroxy-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione
PubChem CID21054581
Molecular FormulaC23H20N4O5
Molecular Weight432.44 g/mol
Exact Mass432.14
IUPAC Name(10S)-10,23-diethyl-10-hydroxy-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione
SMILESCCN1C(=O)Nc2cccc3nc4c(c1c23)Cn1c-4cc2c(c1=O)COC(=O)[C@]2(O)CC
InChIInChI=1S/C23H20N4O5/c1-3-23(31)13-8-16-18-11(9-27(16)20(28)12(13)10-32-21(23)29)19-17-14(24-18)6-5-7-15(17)25-22(30)26(19)4-2/h5-8,31H,3-4,9-10H2,1-2H3,(H,25,30)/t23-/m0/s1
InChIKeyXHKUWAZMCMNNAS-QHCPKHFHSA-N
XLogP2.45
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (10S)-10,23-diethyl-10-hydroxy-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione with MolForge

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Related Compounds

10-ethyl-10-hydroxy-23-(2-phenylethyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione
CID 10174551
(10S)-10-ethyl-10-hydroxy-23-(2-pyridin-2-ylethyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione
CID 21054611
19-ethyl-19-hydroxy-8,10-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 10429595
(10S)-10-ethyl-10-hydroxy-8,22-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
CID 10023268
10-ethyl-10-hydroxy-23-pentyl-22-propyl-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione
CID 10311309
8-chloro-10,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 76510529
10-ethyl-10-hydroxy-22-(hydroxymethyl)-23-(3-methylbutyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione
CID 10311128
(19S)-19-ethyl-19-hydroxy-8-propan-2-yl-10-trimethylsilyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 11465396
(19S)-19-ethyl-19-hydroxy-7,8,10-trimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 54005453
(19S)-10,19-diethyl-19-hydroxy-8-[(methylsulfanylamino)methyl]-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 142232707
(19S)-19-ethyl-10-[(E)-hydrazinylidenemethyl]-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 15916820
(19S)-19-ethyl-19-hydroxy-10-triethylsilyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 15481511

Frequently Asked Questions

What is the IUPAC name of (10S)-10,23-diethyl-10-hydroxy-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione?
The IUPAC name of (10S)-10,23-diethyl-10-hydroxy-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione (CID 21054581) is (10S)-10,23-diethyl-10-hydroxy-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione.
What is the SMILES notation for (10S)-10,23-diethyl-10-hydroxy-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione?
The canonical SMILES for (10S)-10,23-diethyl-10-hydroxy-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione is CCN1C(=O)Nc2cccc3nc4c(c1c23)Cn1c-4cc2c(c1=O)COC(=O)[C@]2(O)CC.
What is the InChIKey of (10S)-10,23-diethyl-10-hydroxy-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione?
The InChIKey is XHKUWAZMCMNNAS-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H20N4O5/c1-3-23(31)13-8-16-18-11(9-27(16)20(28)12(13)10-32-21(23)29)19-17-14(24-18)6-5-7-15(17)25-22(30)26(19)4-2/h5-8,31H,3-4,9-10H2,1-2H3,(H,25,30)/t23-/m0/s1.
What are the key properties of (10S)-10,23-diethyl-10-hydroxy-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione?
(10S)-10,23-diethyl-10-hydroxy-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione has a molecular weight of 432.44 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10,23-diethyl-10-hydroxy-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione is sourced from PubChem (CID 21054581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).