(9Z)-7,23-dioxa-16,18,21-triazatetracyclo[15.3.1.12,5.111,15]tricosa-1(21),2,4,9,11(22),12,14,17,19-nonaene

C18H15N3O2 — CID 89224954

IUPAC(9Z)-7,23-dioxa-16,18,21-triazatetracyclo[15.3.1.12,5.111,15]tricosa-1(21),2,4,9,11(22),12,14,17,19-nonaene
SMILESC1=C/c2cccc(c2)Nc2nccc(n2)-c2ccc(o2)COC/1
InChIInChI=1S/C18H15N3O2/c1-3-13-4-2-10-22-12-15-6-7-17(23-15)16-8-9-19-18(21-16)20-14(5-1)11-13/h1-9,11H,10,12H2,(H,19,20,21)/b4-2+
InChIKeyURIYFLSZIGVQNM-DUXPYHPUSA-N
MW305.34 g/mol
LogP4.02
Rot. Bonds

About (9Z)-7,23-dioxa-16,18,21-triazatetracyclo[15.3.1.12,5.111,15]tricosa-1(21),2,4,9,11(22),12,14,17,19-nonaene

(9Z)-7,23-dioxa-16,18,21-triazatetracyclo[15.3.1.12,5.111,15]tricosa-1(21),2,4,9,11(22),12,14,17,19-nonaene (PubChem CID 89224954) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is (9Z)-7,23-dioxa-16,18,21-triazatetracyclo[15.3.1.12,5.111,15]tricosa-1(21),2,4,9,11(22),12,14,17,19-nonaene.

Molecular Properties

Compound Name(9Z)-7,23-dioxa-16,18,21-triazatetracyclo[15.3.1.12,5.111,15]tricosa-1(21),2,4,9,11(22),12,14,17,19-nonaene
PubChem CID89224954
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name(9Z)-7,23-dioxa-16,18,21-triazatetracyclo[15.3.1.12,5.111,15]tricosa-1(21),2,4,9,11(22),12,14,17,19-nonaene
SMILESC1=C/c2cccc(c2)Nc2nccc(n2)-c2ccc(o2)COC/1
InChIInChI=1S/C18H15N3O2/c1-3-13-4-2-10-22-12-15-6-7-17(23-15)16-8-9-19-18(21-16)20-14(5-1)11-13/h1-9,11H,10,12H2,(H,19,20,21)/b4-2+
InChIKeyURIYFLSZIGVQNM-DUXPYHPUSA-N
XLogP4.02
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (9Z)-7,23-dioxa-16,18,21-triazatetracyclo[15.3.1.12,5.111,15]tricosa-1(21),2,4,9,11(22),12,14,17,19-nonaene with MolForge

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Related Compounds

(16Z)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
CID 140786106
(16E)-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaen-21-ol
CID 136596237
14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene
CID 73321221
21-methoxy-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene
CID 73321225
N-hydroxy-4-[(16E)-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaen-14-yl]butanamide
CID 71510729
(16E)-22-methoxy-11-(4-methylpiperazin-1-yl)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene;(16E)-11-(4-methylpiperazin-1-yl)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene;(9E)-15-(2-pyrrolidin-1-ylethoxy)-7,12,26-trioxa-19,21,24-triazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene;(16E)-11-(3-pyrrolidin-1-ylpropoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene;(9E)-7,12,26-trioxa-19,21,24-triazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14(25),15,17,20,22-nonaene
CID 160735685
2-[[(16E)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaen-11-yl]oxy]acetic acid
CID 167713265
8-[(16E)-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaen-14-yl]octan-2-one
CID 147443902
2-[4-(14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaen-11-yl)piperazin-1-yl]ethanol
CID 73346757
(16E)-11-morpholin-4-yl-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
CID 16750251
2,4-diazatetracyclo[15.3.1.13,7.110,14]tricosa-1(20),3,5,7(23),10(22),11,13,15,17(21),18-decaene
CID 77428015
1-[2-(14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaen-11-yloxy)ethyl]pyrrolidin-3-one
CID 73345225

Frequently Asked Questions

What is the IUPAC name of (9Z)-7,23-dioxa-16,18,21-triazatetracyclo[15.3.1.12,5.111,15]tricosa-1(21),2,4,9,11(22),12,14,17,19-nonaene?
The IUPAC name of (9Z)-7,23-dioxa-16,18,21-triazatetracyclo[15.3.1.12,5.111,15]tricosa-1(21),2,4,9,11(22),12,14,17,19-nonaene (CID 89224954) is (9Z)-7,23-dioxa-16,18,21-triazatetracyclo[15.3.1.12,5.111,15]tricosa-1(21),2,4,9,11(22),12,14,17,19-nonaene.
What is the SMILES notation for (9Z)-7,23-dioxa-16,18,21-triazatetracyclo[15.3.1.12,5.111,15]tricosa-1(21),2,4,9,11(22),12,14,17,19-nonaene?
The canonical SMILES for (9Z)-7,23-dioxa-16,18,21-triazatetracyclo[15.3.1.12,5.111,15]tricosa-1(21),2,4,9,11(22),12,14,17,19-nonaene is C1=C/c2cccc(c2)Nc2nccc(n2)-c2ccc(o2)COC/1.
What is the InChIKey of (9Z)-7,23-dioxa-16,18,21-triazatetracyclo[15.3.1.12,5.111,15]tricosa-1(21),2,4,9,11(22),12,14,17,19-nonaene?
The InChIKey is URIYFLSZIGVQNM-DUXPYHPUSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-3-13-4-2-10-22-12-15-6-7-17(23-15)16-8-9-19-18(21-16)20-14(5-1)11-13/h1-9,11H,10,12H2,(H,19,20,21)/b4-2+.
What are the key properties of (9Z)-7,23-dioxa-16,18,21-triazatetracyclo[15.3.1.12,5.111,15]tricosa-1(21),2,4,9,11(22),12,14,17,19-nonaene?
(9Z)-7,23-dioxa-16,18,21-triazatetracyclo[15.3.1.12,5.111,15]tricosa-1(21),2,4,9,11(22),12,14,17,19-nonaene has a molecular weight of 305.34 g/mol, XLogP of 4.02, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-7,23-dioxa-16,18,21-triazatetracyclo[15.3.1.12,5.111,15]tricosa-1(21),2,4,9,11(22),12,14,17,19-nonaene is sourced from PubChem (CID 89224954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).