13-oxa-4,20-diazatetracyclo[12.2.2.23,6.18,12]henicosa-1(16),8(19),9,11,14,17-hexaen-11-ol

C18H20N2O2 — CID 5257897

IUPAC13-oxa-4,20-diazatetracyclo[12.2.2.23,6.18,12]henicosa-1(16),8(19),9,11,14,17-hexaen-11-ol
SMILESOc1ccc2cc1Oc1ccc(cc1)CC1CNC(CN1)C2
InChIInChI=1S/C18H20N2O2/c21-17-6-3-13-8-15-11-19-14(10-20-15)7-12-1-4-16(5-2-12)22-18(17)9-13/h1-6,9,14-15,19-21H,7-8,10-11H2
InChIKeyUOLONRFQMXQQFB-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.21
Rot. Bonds

About 13-oxa-4,20-diazatetracyclo[12.2.2.23,6.18,12]henicosa-1(16),8(19),9,11,14,17-hexaen-11-ol

13-oxa-4,20-diazatetracyclo[12.2.2.23,6.18,12]henicosa-1(16),8(19),9,11,14,17-hexaen-11-ol (PubChem CID 5257897) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 13-oxa-4,20-diazatetracyclo[12.2.2.23,6.18,12]henicosa-1(16),8(19),9,11,14,17-hexaen-11-ol.

Molecular Properties

Compound Name13-oxa-4,20-diazatetracyclo[12.2.2.23,6.18,12]henicosa-1(16),8(19),9,11,14,17-hexaen-11-ol
PubChem CID5257897
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name13-oxa-4,20-diazatetracyclo[12.2.2.23,6.18,12]henicosa-1(16),8(19),9,11,14,17-hexaen-11-ol
SMILESOc1ccc2cc1Oc1ccc(cc1)CC1CNC(CN1)C2
InChIInChI=1S/C18H20N2O2/c21-17-6-3-13-8-15-11-19-14(10-20-15)7-12-1-4-16(5-2-12)22-18(17)9-13/h1-6,9,14-15,19-21H,7-8,10-11H2
InChIKeyUOLONRFQMXQQFB-UHFFFAOYSA-N
XLogP2.21
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 13-oxa-4,20-diazatetracyclo[12.2.2.23,6.18,12]henicosa-1(16),8(19),9,11,14,17-hexaen-11-ol with MolForge

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Related Compounds

2-amino-8-[[(3S,6S)-13-oxa-4,20-diazatetracyclo[12.2.2.23,6.18,12]henicosa-1(16),8(19),9,11,14,17-hexaen-11-yl]oxy]-1,7-dihydropurin-6-one
CID 169492289
2,15-dioxapentacyclo[21.2.2.13,7.110,14.116,20]triaconta-1(25),3,5,7(30),10(29),11,13,16,18,20(28),23,26-dodecaene-4,17,25-triol
CID 86573262
2,16-dioxapentacyclo[23.2.2.13,7.010,15.017,22]triaconta-1(27),3,5,7(30),10(15),11,13,17(22),18,20,25,28-dodecaene-4,12,18-triol
CID 71593293
9-amino-12-[3-(diaminomethylideneamino)-1,2-dihydroxypropyl]-4-hydroxy-10,13-dioxo-2-oxa-11,14-diazatricyclo[15.2.2.13,7]docosa-1(19),3,5,7(22),17,20-hexaene-15-carboxylic acid
CID 72808487
27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25(33),26,28(32),35-dodecaene-13,26-diol
CID 162998477
2,15-dioxapentacyclo[21.3.1.13,7.110,14.116,20]triaconta-1(26),3(30),4,6,10,12,14(29),16(28),17,19,23(27),24-dodecaene-4,5,12,13,17,18,26-heptol
CID 172870391
(1R,14R)-20,25-dimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene-9,21-diol
CID 11911960
15,16,21-trimethoxy-10-methyl-2,18-dioxa-10,26-diazaheptacyclo[27.2.2.13,7.19,13.119,23.017,35.027,34]hexatriaconta-1(31),3,5,7(36),13,15,17(35),19,21,23(34),29,32-dodecaen-4-ol
CID 162918005
(3S,6S)-11-methoxy-13-oxa-4,20-diazatetracyclo[12.2.2.23,6.18,12]henicosa-1(16),8(19),9,11,14,17-hexaene-5,21-dione
CID 10882303
(1S,14R)-20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-ol
CID 7067487
18-(dimethylamino)-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene-4,17-diol
CID 57399229
4-[(dimethylamino)methyl]-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15,17,19(27),22,25-dodecaene-3,16,24-triol
CID 57395769

Frequently Asked Questions

What is the IUPAC name of 13-oxa-4,20-diazatetracyclo[12.2.2.23,6.18,12]henicosa-1(16),8(19),9,11,14,17-hexaen-11-ol?
The IUPAC name of 13-oxa-4,20-diazatetracyclo[12.2.2.23,6.18,12]henicosa-1(16),8(19),9,11,14,17-hexaen-11-ol (CID 5257897) is 13-oxa-4,20-diazatetracyclo[12.2.2.23,6.18,12]henicosa-1(16),8(19),9,11,14,17-hexaen-11-ol.
What is the SMILES notation for 13-oxa-4,20-diazatetracyclo[12.2.2.23,6.18,12]henicosa-1(16),8(19),9,11,14,17-hexaen-11-ol?
The canonical SMILES for 13-oxa-4,20-diazatetracyclo[12.2.2.23,6.18,12]henicosa-1(16),8(19),9,11,14,17-hexaen-11-ol is Oc1ccc2cc1Oc1ccc(cc1)CC1CNC(CN1)C2.
What is the InChIKey of 13-oxa-4,20-diazatetracyclo[12.2.2.23,6.18,12]henicosa-1(16),8(19),9,11,14,17-hexaen-11-ol?
The InChIKey is UOLONRFQMXQQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-17-6-3-13-8-15-11-19-14(10-20-15)7-12-1-4-16(5-2-12)22-18(17)9-13/h1-6,9,14-15,19-21H,7-8,10-11H2.
What are the key properties of 13-oxa-4,20-diazatetracyclo[12.2.2.23,6.18,12]henicosa-1(16),8(19),9,11,14,17-hexaen-11-ol?
13-oxa-4,20-diazatetracyclo[12.2.2.23,6.18,12]henicosa-1(16),8(19),9,11,14,17-hexaen-11-ol has a molecular weight of 296.37 g/mol, XLogP of 2.21, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-oxa-4,20-diazatetracyclo[12.2.2.23,6.18,12]henicosa-1(16),8(19),9,11,14,17-hexaen-11-ol is sourced from PubChem (CID 5257897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).