(7S,10R)-11-oxa-2,4,5,13,17,23-hexazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaene-12,16-dione

C18H22N6O3 — CID 167230388

IUPAC(7S,10R)-11-oxa-2,4,5,13,17,23-hexazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaene-12,16-dione
SMILESO=C1CCNC(=O)O[C@@H]2CC[C@@H](C2)c2cc(n[nH]2)Nc2cccc(n2)CN1
InChIInChI=1S/C18H22N6O3/c25-17-6-7-19-18(26)27-13-5-4-11(8-13)14-9-16(24-23-14)22-15-3-1-2-12(21-15)10-20-17/h1-3,9,11,13H,4-8,10H2,(H,19,26)(H,20,25)(H2,21,22,23,24)/t11-,13+/m0/s1
InChIKeyQJMVGJIGBGEMII-WCQYABFASA-N
MW370.41 g/mol
LogP1.93
Rot. Bonds

About (7S,10R)-11-oxa-2,4,5,13,17,23-hexazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaene-12,16-dione

(7S,10R)-11-oxa-2,4,5,13,17,23-hexazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaene-12,16-dione (PubChem CID 167230388) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is (7S,10R)-11-oxa-2,4,5,13,17,23-hexazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaene-12,16-dione.

Molecular Properties

Compound Name(7S,10R)-11-oxa-2,4,5,13,17,23-hexazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaene-12,16-dione
PubChem CID167230388
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name(7S,10R)-11-oxa-2,4,5,13,17,23-hexazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaene-12,16-dione
SMILESO=C1CCNC(=O)O[C@@H]2CC[C@@H](C2)c2cc(n[nH]2)Nc2cccc(n2)CN1
InChIInChI=1S/C18H22N6O3/c25-17-6-7-19-18(26)27-13-5-4-11(8-13)14-9-16(24-23-14)22-15-3-1-2-12(21-15)10-20-17/h1-3,9,11,13H,4-8,10H2,(H,19,26)(H,20,25)(H2,21,22,23,24)/t11-,13+/m0/s1
InChIKeyQJMVGJIGBGEMII-WCQYABFASA-N
XLogP1.93
TPSA121.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (7S,10R)-11-oxa-2,4,5,13,17,23-hexazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaene-12,16-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S,10R)-11-oxa-2,4,5,13,17,23-hexazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaene-12,16-dione?
The IUPAC name of (7S,10R)-11-oxa-2,4,5,13,17,23-hexazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaene-12,16-dione (CID 167230388) is (7S,10R)-11-oxa-2,4,5,13,17,23-hexazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaene-12,16-dione.
What is the SMILES notation for (7S,10R)-11-oxa-2,4,5,13,17,23-hexazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaene-12,16-dione?
The canonical SMILES for (7S,10R)-11-oxa-2,4,5,13,17,23-hexazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaene-12,16-dione is O=C1CCNC(=O)O[C@@H]2CC[C@@H](C2)c2cc(n[nH]2)Nc2cccc(n2)CN1.
What is the InChIKey of (7S,10R)-11-oxa-2,4,5,13,17,23-hexazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaene-12,16-dione?
The InChIKey is QJMVGJIGBGEMII-WCQYABFASA-N. The full InChI is InChI=1S/C18H22N6O3/c25-17-6-7-19-18(26)27-13-5-4-11(8-13)14-9-16(24-23-14)22-15-3-1-2-12(21-15)10-20-17/h1-3,9,11,13H,4-8,10H2,(H,19,26)(H,20,25)(H2,21,22,23,24)/t11-,13+/m0/s1.
What are the key properties of (7S,10R)-11-oxa-2,4,5,13,17,23-hexazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaene-12,16-dione?
(7S,10R)-11-oxa-2,4,5,13,17,23-hexazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaene-12,16-dione has a molecular weight of 370.41 g/mol, XLogP of 1.93, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,10R)-11-oxa-2,4,5,13,17,23-hexazatetracyclo[17.3.1.13,6.17,10]pentacosa-1(22),3,6(25),19(23),20-pentaene-12,16-dione is sourced from PubChem (CID 167230388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).