6-fluoro-19-hydroxy-10-[2-[2-hydroxyethyl(methyl)amino]ethyl]-7-methyl-8-propyl-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

C27H30FN3O5 — CID 170751523

IUPAC6-fluoro-19-hydroxy-10-[2-[2-hydroxyethyl(methyl)amino]ethyl]-7-methyl-8-propyl-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
SMILESCCCc1c(C)c(F)cc2nc3c(c(CCN(C)CCO)c12)Cn1c-3cc2c(c1=O)COC(=O)C2O
InChIInChI=1S/C27H30FN3O5/c1-4-5-15-14(2)20(28)11-21-23(15)16(6-7-30(3)8-9-32)18-12-31-22(24(18)29-21)10-17-19(26(31)34)13-36-27(35)25(17)33/h10-11,25,32-33H,4-9,12-13H2,1-3H3
InChIKeyASSKXZOYWWZERQ-UHFFFAOYSA-N
MW495.55 g/mol
LogP2.38
Rot. Bonds7

About 6-fluoro-19-hydroxy-10-[2-[2-hydroxyethyl(methyl)amino]ethyl]-7-methyl-8-propyl-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

6-fluoro-19-hydroxy-10-[2-[2-hydroxyethyl(methyl)amino]ethyl]-7-methyl-8-propyl-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 (PubChem CID 170751523) has the molecular formula C27H30FN3O5 and a molecular weight of 495.55 g/mol. Its IUPAC name is 6-fluoro-19-hydroxy-10-[2-[2-hydroxyethyl(methyl)amino]ethyl]-7-methyl-8-propyl-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.

Molecular Properties

Compound Name6-fluoro-19-hydroxy-10-[2-[2-hydroxyethyl(methyl)amino]ethyl]-7-methyl-8-propyl-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
PubChem CID170751523
Molecular FormulaC27H30FN3O5
Molecular Weight495.55 g/mol
Exact Mass495.22
IUPAC Name6-fluoro-19-hydroxy-10-[2-[2-hydroxyethyl(methyl)amino]ethyl]-7-methyl-8-propyl-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
SMILESCCCc1c(C)c(F)cc2nc3c(c(CCN(C)CCO)c12)Cn1c-3cc2c(c1=O)COC(=O)C2O
InChIInChI=1S/C27H30FN3O5/c1-4-5-15-14(2)20(28)11-21-23(15)16(6-7-30(3)8-9-32)18-12-31-22(24(18)29-21)10-17-19(26(31)34)13-36-27(35)25(17)33/h10-11,25,32-33H,4-9,12-13H2,1-3H3
InChIKeyASSKXZOYWWZERQ-UHFFFAOYSA-N
XLogP2.38
TPSA104.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.55
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-fluoro-19-hydroxy-10-[2-[2-hydroxyethyl(methyl)amino]ethyl]-7-methyl-8-propyl-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 with MolForge

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Related Compounds

10-ethyl-6-fluoro-19-hydroxy-7,8-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 156842132
ethane;(23S)-18-fluoro-10-hydroxy-23-[3-[2-hydroxyethyl(methyl)amino]propyl]-19-methyl-8-oxa-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 170751655
8-amino-10-ethyl-6-fluoro-19-hydroxy-7-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 156842079
N-[(10-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl)methyl]-2-hydroxyacetamide
CID 156842082
(19S)-10-ethyl-6-fluoro-19-hydroxy-7-methyl-8-[(E)-prop-1-enyl]-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 156842058
ethane;18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.6.1.02,14.04,13.06,11.020,23]tricosa-1,6(11),12,14,16,18,20(23)-heptaene-5,9-dione
CID 166490463
6-fluoro-19-hydroxy-10-(4-hydroxybutyl)-7-methyl-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 155715035
18-fluoro-10-hydroxy-23-(hydroxymethyl)-19-methyl-8-oxa-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 170751537
ethane;ethene;(10S)-18-fluoro-10-hydroxy-19-methyl-8-oxa-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;methanamine
CID 170724281
ethane;10-ethyl-19-hydroxy-7,8-dimethyl-6-(trifluoromethyl)-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 156842221
ethane;18-fluoro-10-hydroxy-19-methyl-8-oxa-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;formaldehyde;methoxymethane
CID 170975407
ethane;18-fluoro-10-hydroxy-19-methyl-8-oxa-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;2-hydroxyacetamide
CID 164599847

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-19-hydroxy-10-[2-[2-hydroxyethyl(methyl)amino]ethyl]-7-methyl-8-propyl-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?
The IUPAC name of 6-fluoro-19-hydroxy-10-[2-[2-hydroxyethyl(methyl)amino]ethyl]-7-methyl-8-propyl-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 170751523) is 6-fluoro-19-hydroxy-10-[2-[2-hydroxyethyl(methyl)amino]ethyl]-7-methyl-8-propyl-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.
What is the SMILES notation for 6-fluoro-19-hydroxy-10-[2-[2-hydroxyethyl(methyl)amino]ethyl]-7-methyl-8-propyl-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?
The canonical SMILES for 6-fluoro-19-hydroxy-10-[2-[2-hydroxyethyl(methyl)amino]ethyl]-7-methyl-8-propyl-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 is CCCc1c(C)c(F)cc2nc3c(c(CCN(C)CCO)c12)Cn1c-3cc2c(c1=O)COC(=O)C2O.
What is the InChIKey of 6-fluoro-19-hydroxy-10-[2-[2-hydroxyethyl(methyl)amino]ethyl]-7-methyl-8-propyl-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?
The InChIKey is ASSKXZOYWWZERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O5/c1-4-5-15-14(2)20(28)11-21-23(15)16(6-7-30(3)8-9-32)18-12-31-22(24(18)29-21)10-17-19(26(31)34)13-36-27(35)25(17)33/h10-11,25,32-33H,4-9,12-13H2,1-3H3.
What are the key properties of 6-fluoro-19-hydroxy-10-[2-[2-hydroxyethyl(methyl)amino]ethyl]-7-methyl-8-propyl-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?
6-fluoro-19-hydroxy-10-[2-[2-hydroxyethyl(methyl)amino]ethyl]-7-methyl-8-propyl-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 has a molecular weight of 495.55 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-19-hydroxy-10-[2-[2-hydroxyethyl(methyl)amino]ethyl]-7-methyl-8-propyl-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 is sourced from PubChem (CID 170751523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).