10-ethyl-10-hydroxy-23-(2-morpholin-4-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),17,19,21-octaene-5,9-dione

C27H27N5O5 — CID 10289136

IUPAC10-ethyl-10-hydroxy-23-(2-morpholin-4-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),17,19,21-octaene-5,9-dione
SMILESCCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cccc3c1c2N(CCN1CCOCC1)C=N3
InChIInChI=1S/C27H27N5O5/c1-2-27(35)18-12-21-23-16(13-32(21)25(33)17(18)14-37-26(27)34)24-22-19(4-3-5-20(22)29-23)28-15-31(24)7-6-30-8-10-36-11-9-30/h3-5,12,15,35H,2,6-11,13-14H2,1H3
InChIKeyNBSQFILFRPVMAY-UHFFFAOYSA-N
MW501.54 g/mol
LogP1.89
Rot. Bonds4

About 10-ethyl-10-hydroxy-23-(2-morpholin-4-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),17,19,21-octaene-5,9-dione

10-ethyl-10-hydroxy-23-(2-morpholin-4-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),17,19,21-octaene-5,9-dione (PubChem CID 10289136) has the molecular formula C27H27N5O5 and a molecular weight of 501.54 g/mol. Its IUPAC name is 10-ethyl-10-hydroxy-23-(2-morpholin-4-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),17,19,21-octaene-5,9-dione.

Molecular Properties

Compound Name10-ethyl-10-hydroxy-23-(2-morpholin-4-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),17,19,21-octaene-5,9-dione
PubChem CID10289136
Molecular FormulaC27H27N5O5
Molecular Weight501.54 g/mol
Exact Mass501.20
IUPAC Name10-ethyl-10-hydroxy-23-(2-morpholin-4-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),17,19,21-octaene-5,9-dione
SMILESCCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cccc3c1c2N(CCN1CCOCC1)C=N3
InChIInChI=1S/C27H27N5O5/c1-2-27(35)18-12-21-23-16(13-32(21)25(33)17(18)14-37-26(27)34)24-22-19(4-3-5-20(22)29-23)28-15-31(24)7-6-30-8-10-36-11-9-30/h3-5,12,15,35H,2,6-11,13-14H2,1H3
InChIKeyNBSQFILFRPVMAY-UHFFFAOYSA-N
XLogP1.89
TPSA109.49 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.54
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 10-ethyl-10-hydroxy-23-(2-morpholin-4-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),17,19,21-octaene-5,9-dione with MolForge

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Related Compounds

10-ethyl-10-hydroxy-23-[2-(4-methoxyphenyl)ethyl]-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 10289416
[(10S)-23-(3,3-dimethylbutyl)-10-ethyl-5,9-dioxo-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-octaen-10-yl] acetate
CID 21054583
(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
(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
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
(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)-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
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
(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
[(10S)-10-ethyl-5,9-dioxo-23-pentyl-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-octaen-10-yl] 2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]acetate
CID 59650727
(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
(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

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-10-hydroxy-23-(2-morpholin-4-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),17,19,21-octaene-5,9-dione?
The IUPAC name of 10-ethyl-10-hydroxy-23-(2-morpholin-4-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),17,19,21-octaene-5,9-dione (CID 10289136) is 10-ethyl-10-hydroxy-23-(2-morpholin-4-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),17,19,21-octaene-5,9-dione.
What is the SMILES notation for 10-ethyl-10-hydroxy-23-(2-morpholin-4-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),17,19,21-octaene-5,9-dione?
The canonical SMILES for 10-ethyl-10-hydroxy-23-(2-morpholin-4-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),17,19,21-octaene-5,9-dione is CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cccc3c1c2N(CCN1CCOCC1)C=N3.
What is the InChIKey of 10-ethyl-10-hydroxy-23-(2-morpholin-4-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),17,19,21-octaene-5,9-dione?
The InChIKey is NBSQFILFRPVMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O5/c1-2-27(35)18-12-21-23-16(13-32(21)25(33)17(18)14-37-26(27)34)24-22-19(4-3-5-20(22)29-23)28-15-31(24)7-6-30-8-10-36-11-9-30/h3-5,12,15,35H,2,6-11,13-14H2,1H3.
What are the key properties of 10-ethyl-10-hydroxy-23-(2-morpholin-4-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),17,19,21-octaene-5,9-dione?
10-ethyl-10-hydroxy-23-(2-morpholin-4-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),17,19,21-octaene-5,9-dione has a molecular weight of 501.54 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-10-hydroxy-23-(2-morpholin-4-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),17,19,21-octaene-5,9-dione is sourced from PubChem (CID 10289136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).