22-hydroxy-4,12,18-trioxa-14,16-diazahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),5,7,9,13,17(25),19(24),20,22-nonaene-3,15-dione

C20H10N2O6 — CID 171344888

IUPAC22-hydroxy-4,12,18-trioxa-14,16-diazahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),5,7,9,13,17(25),19(24),20,22-nonaene-3,15-dione
SMILESO=c1nc2c3c([nH]1)Oc1ccc(O)cc1C3c1c(c3ccccc3oc1=O)O2
InChIInChI=1S/C20H10N2O6/c23-8-5-6-12-10(7-8)13-14-16(9-3-1-2-4-11(9)27-19(14)24)28-18-15(13)17(26-12)21-20(25)22-18/h1-7,13,23H,(H,21,22,25)
InChIKeyNTXUFQPYGCDJSO-UHFFFAOYSA-N
MW374.31 g/mol
LogP2.97
Rot. Bonds

About 22-hydroxy-4,12,18-trioxa-14,16-diazahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),5,7,9,13,17(25),19(24),20,22-nonaene-3,15-dione

22-hydroxy-4,12,18-trioxa-14,16-diazahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),5,7,9,13,17(25),19(24),20,22-nonaene-3,15-dione (PubChem CID 171344888) has the molecular formula C20H10N2O6 and a molecular weight of 374.31 g/mol. Its IUPAC name is 22-hydroxy-4,12,18-trioxa-14,16-diazahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),5,7,9,13,17(25),19(24),20,22-nonaene-3,15-dione.

Molecular Properties

Compound Name22-hydroxy-4,12,18-trioxa-14,16-diazahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),5,7,9,13,17(25),19(24),20,22-nonaene-3,15-dione
PubChem CID171344888
Molecular FormulaC20H10N2O6
Molecular Weight374.31 g/mol
Exact Mass374.05
IUPAC Name22-hydroxy-4,12,18-trioxa-14,16-diazahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),5,7,9,13,17(25),19(24),20,22-nonaene-3,15-dione
SMILESO=c1nc2c3c([nH]1)Oc1ccc(O)cc1C3c1c(c3ccccc3oc1=O)O2
InChIInChI=1S/C20H10N2O6/c23-8-5-6-12-10(7-8)13-14-16(9-3-1-2-4-11(9)27-19(14)24)28-18-15(13)17(26-12)21-20(25)22-18/h1-7,13,23H,(H,21,22,25)
InChIKeyNTXUFQPYGCDJSO-UHFFFAOYSA-N
XLogP2.97
TPSA114.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 22-hydroxy-4,12,18-trioxa-14,16-diazahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),5,7,9,13,17(25),19(24),20,22-nonaene-3,15-dione with MolForge

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Related Compounds

15-methyl-11-phenyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione
CID 11840825
10-amino-7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one
CID 58550666
15-methyl-11-thiophen-2-yl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione
CID 2816952
13-(2-chlorophenyl)-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,17,19,21-octaene-11,15-dione
CID 139237910
11-(4-hydroxyphenyl)-15-(2-oxochromen-3-yl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one
CID 86577526
15-amino-13-(3-fluorophenyl)-2,10-dioxa-22-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,14,16(21)-heptaen-11-one
CID 72708067
17-hydroxy-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2(11),5,7,9,15(20),16,18-heptaen-3-one
CID 12735698
15-amino-13-(3-nitrophenyl)-2,10-dioxa-22-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,14,16(21)-heptaen-11-one
CID 72708138
13-amino-11-(4-chlorophenyl)-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12,14,16-heptaen-9-one
CID 15425881
(11S)-11-(4-hydroxyphenyl)-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,12(16),13-hexaen-9-one
CID 137085351
1,3-dihydroxy-7-(4,5,7-trihydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one
CID 54683163
ethyl 4-oxo-3-(2-oxo-1H-quinolin-3-yl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 71753904

Frequently Asked Questions

What is the IUPAC name of 22-hydroxy-4,12,18-trioxa-14,16-diazahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),5,7,9,13,17(25),19(24),20,22-nonaene-3,15-dione?
The IUPAC name of 22-hydroxy-4,12,18-trioxa-14,16-diazahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),5,7,9,13,17(25),19(24),20,22-nonaene-3,15-dione (CID 171344888) is 22-hydroxy-4,12,18-trioxa-14,16-diazahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),5,7,9,13,17(25),19(24),20,22-nonaene-3,15-dione.
What is the SMILES notation for 22-hydroxy-4,12,18-trioxa-14,16-diazahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),5,7,9,13,17(25),19(24),20,22-nonaene-3,15-dione?
The canonical SMILES for 22-hydroxy-4,12,18-trioxa-14,16-diazahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),5,7,9,13,17(25),19(24),20,22-nonaene-3,15-dione is O=c1nc2c3c([nH]1)Oc1ccc(O)cc1C3c1c(c3ccccc3oc1=O)O2.
What is the InChIKey of 22-hydroxy-4,12,18-trioxa-14,16-diazahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),5,7,9,13,17(25),19(24),20,22-nonaene-3,15-dione?
The InChIKey is NTXUFQPYGCDJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10N2O6/c23-8-5-6-12-10(7-8)13-14-16(9-3-1-2-4-11(9)27-19(14)24)28-18-15(13)17(26-12)21-20(25)22-18/h1-7,13,23H,(H,21,22,25).
What are the key properties of 22-hydroxy-4,12,18-trioxa-14,16-diazahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),5,7,9,13,17(25),19(24),20,22-nonaene-3,15-dione?
22-hydroxy-4,12,18-trioxa-14,16-diazahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),5,7,9,13,17(25),19(24),20,22-nonaene-3,15-dione has a molecular weight of 374.31 g/mol, XLogP of 2.97, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 22-hydroxy-4,12,18-trioxa-14,16-diazahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),5,7,9,13,17(25),19(24),20,22-nonaene-3,15-dione is sourced from PubChem (CID 171344888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).