10-ethyl-7,14-dihydroxy-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-18,19-dione

C20H16N2O5 — CID 163992612

IUPAC10-ethyl-7,14-dihydroxy-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-18,19-dione
SMILESCCc1c2c(nc3ccc(O)cc13)C1=CC3=C(COC(=O)C3=O)C(O)N1C2
InChIInChI=1S/C20H16N2O5/c1-2-10-11-5-9(23)3-4-15(11)21-17-13(10)7-22-16(17)6-12-14(19(22)25)8-27-20(26)18(12)24/h3-6,19,23,25H,2,7-8H2,1H3
InChIKeyUBYOPXLLZGNXEM-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.41
Rot. Bonds1

About 10-ethyl-7,14-dihydroxy-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-18,19-dione

10-ethyl-7,14-dihydroxy-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-18,19-dione (PubChem CID 163992612) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is 10-ethyl-7,14-dihydroxy-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-18,19-dione.

Molecular Properties

Compound Name10-ethyl-7,14-dihydroxy-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-18,19-dione
PubChem CID163992612
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name10-ethyl-7,14-dihydroxy-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-18,19-dione
SMILESCCc1c2c(nc3ccc(O)cc13)C1=CC3=C(COC(=O)C3=O)C(O)N1C2
InChIInChI=1S/C20H16N2O5/c1-2-10-11-5-9(23)3-4-15(11)21-17-13(10)7-22-16(17)6-12-14(19(22)25)8-27-20(26)18(12)24/h3-6,19,23,25H,2,7-8H2,1H3
InChIKeyUBYOPXLLZGNXEM-UHFFFAOYSA-N
XLogP1.41
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 10-ethyl-7,14-dihydroxy-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-18,19-dione with MolForge

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Related Compounds

ethane;10-ethyl-7-hydroxy-19-methoxy-14-methylidene-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-18-one;methane
CID 143661454
3-[(10-ethyl-7-hydroxy-14,18-dimethylidene-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)oxy]but-3-enamide
CID 162730985
ethane;3-[(10-ethyl-7-hydroxy-14,18-dimethylidene-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)oxy]but-3-enamide
CID 162730984
(19S)-10,19-diethyl-7-hydroxy-19-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 166974475
(19S)-19-ethyl-10-(213C)ethyl-7,16,19-trihydroxy-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 11742556
(10-ethyl-7-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-19-yl) pentanoate
CID 130421270
7-ethyl-9-nitroso-6H-chromeno[4,3-b]quinolin-3-ol
CID 143199333
(10-ethyl-7-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-19-yl) 2-aminopropanoate
CID 145053503
(19R)-10,19-diethyl-7,19-dihydroxy-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 159015212
(19S)-19-ethyl-7,19-dihydroxy-10-[[hydroxy(dimethyl)silyl]methyl]-18-methylidene-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-14-one
CID 165016652
(10,19-diethyl-7-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-19-yl) carbonochloridate
CID 90191282
CID 58332818
CID 58332818

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-7,14-dihydroxy-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-18,19-dione?
The IUPAC name of 10-ethyl-7,14-dihydroxy-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-18,19-dione (CID 163992612) is 10-ethyl-7,14-dihydroxy-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-18,19-dione.
What is the SMILES notation for 10-ethyl-7,14-dihydroxy-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-18,19-dione?
The canonical SMILES for 10-ethyl-7,14-dihydroxy-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-18,19-dione is CCc1c2c(nc3ccc(O)cc13)C1=CC3=C(COC(=O)C3=O)C(O)N1C2.
What is the InChIKey of 10-ethyl-7,14-dihydroxy-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-18,19-dione?
The InChIKey is UBYOPXLLZGNXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5/c1-2-10-11-5-9(23)3-4-15(11)21-17-13(10)7-22-16(17)6-12-14(19(22)25)8-27-20(26)18(12)24/h3-6,19,23,25H,2,7-8H2,1H3.
What are the key properties of 10-ethyl-7,14-dihydroxy-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-18,19-dione?
10-ethyl-7,14-dihydroxy-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-18,19-dione has a molecular weight of 364.36 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-7,14-dihydroxy-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-18,19-dione is sourced from PubChem (CID 163992612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).