10-ethyl-19-(2-hydroxyethyl)-7-methoxy-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),18-octaen-14-one

C23H22N2O4 — CID 56966118

IUPAC10-ethyl-19-(2-hydroxyethyl)-7-methoxy-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),18-octaen-14-one
SMILESCCc1c2c(nc3ccc(OC)cc13)-c1cc3c(c(=O)n1C2)COC=C3CCO
InChIInChI=1S/C23H22N2O4/c1-3-15-17-8-14(28-2)4-5-20(17)24-22-18(15)10-25-21(22)9-16-13(6-7-26)11-29-12-19(16)23(25)27/h4-5,8-9,11,26H,3,6-7,10,12H2,1-2H3
InChIKeyUAUDVPQNUOSLNJ-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.25
Rot. Bonds4

About 10-ethyl-19-(2-hydroxyethyl)-7-methoxy-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),18-octaen-14-one

10-ethyl-19-(2-hydroxyethyl)-7-methoxy-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),18-octaen-14-one (PubChem CID 56966118) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 10-ethyl-19-(2-hydroxyethyl)-7-methoxy-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),18-octaen-14-one.

Molecular Properties

Compound Name10-ethyl-19-(2-hydroxyethyl)-7-methoxy-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),18-octaen-14-one
PubChem CID56966118
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name10-ethyl-19-(2-hydroxyethyl)-7-methoxy-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),18-octaen-14-one
SMILESCCc1c2c(nc3ccc(OC)cc13)-c1cc3c(c(=O)n1C2)COC=C3CCO
InChIInChI=1S/C23H22N2O4/c1-3-15-17-8-14(28-2)4-5-20(17)24-22-18(15)10-25-21(22)9-16-13(6-7-26)11-29-12-19(16)23(25)27/h4-5,8-9,11,26H,3,6-7,10,12H2,1-2H3
InChIKeyUAUDVPQNUOSLNJ-UHFFFAOYSA-N
XLogP3.25
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 10-ethyl-19-(2-hydroxyethyl)-7-methoxy-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),18-octaen-14-one with MolForge

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Related Compounds

(19S)-10,19-diethyl-19-hydroxy-7-methoxy-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 11133259
12-ethyl-2-methoxy-8-(methoxymethyl)-7-propyl-11H-indolizino[1,2-b]quinolin-9-one
CID 165146233
(19S)-10,19-diethyl-7-methoxy-19-sulfanyloxy-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 59882187
(19R)-19-azido-10,19-diethyl-7-methoxy-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 14428196
(19S)-10-(chloromethyl)-19-hydroxy-7-methoxy-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 170016328
(19S)-7-[[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-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)-heptaen-7-yl]peroxy]-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 155779325
(19S)-10,19-diethyl-19-hydroxy-7-phosphanyloxy-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 155483007
2-[(19S)-10-ethyl-19-hydroxy-7-methoxy-14,18-dioxo-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)-heptaen-19-yl]ethyl 6-chloropyridine-3-carboxylate
CID 56600437
ethane;7-ethoxy-10-ethyl-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 178093851
2-[12-ethyl-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanal
CID 165146250
(19S)-19-ethyl-19-hydroxy-7-methoxy-10-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
CID 57181553
[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-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)-heptaen-7-yl] N-methoxycarbamate
CID 87770540

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-19-(2-hydroxyethyl)-7-methoxy-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),18-octaen-14-one?
The IUPAC name of 10-ethyl-19-(2-hydroxyethyl)-7-methoxy-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),18-octaen-14-one (CID 56966118) is 10-ethyl-19-(2-hydroxyethyl)-7-methoxy-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),18-octaen-14-one.
What is the SMILES notation for 10-ethyl-19-(2-hydroxyethyl)-7-methoxy-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),18-octaen-14-one?
The canonical SMILES for 10-ethyl-19-(2-hydroxyethyl)-7-methoxy-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),18-octaen-14-one is CCc1c2c(nc3ccc(OC)cc13)-c1cc3c(c(=O)n1C2)COC=C3CCO.
What is the InChIKey of 10-ethyl-19-(2-hydroxyethyl)-7-methoxy-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),18-octaen-14-one?
The InChIKey is UAUDVPQNUOSLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-3-15-17-8-14(28-2)4-5-20(17)24-22-18(15)10-25-21(22)9-16-13(6-7-26)11-29-12-19(16)23(25)27/h4-5,8-9,11,26H,3,6-7,10,12H2,1-2H3.
What are the key properties of 10-ethyl-19-(2-hydroxyethyl)-7-methoxy-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),18-octaen-14-one?
10-ethyl-19-(2-hydroxyethyl)-7-methoxy-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),18-octaen-14-one has a molecular weight of 390.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-19-(2-hydroxyethyl)-7-methoxy-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),18-octaen-14-one is sourced from PubChem (CID 56966118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).