23-methyl-17,20-dioxa-4,14,23,27-tetrazahexacyclo[25.6.1.17,14.02,6.08,13.028,33]pentatriaconta-1(34),2(6),7(35),8,10,12,28,30,32-nonaene-3,5-dione

C30H32N4O4 — CID 10207822

IUPAC23-methyl-17,20-dioxa-4,14,23,27-tetrazahexacyclo[25.6.1.17,14.02,6.08,13.028,33]pentatriaconta-1(34),2(6),7(35),8,10,12,28,30,32-nonaene-3,5-dione
SMILESCN1CCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCOCCOCC1
InChIInChI=1S/C30H32N4O4/c1-32-11-6-12-33-19-23(21-7-2-4-9-25(21)33)27-28(30(36)31-29(27)35)24-20-34(26-10-5-3-8-22(24)26)14-16-38-18-17-37-15-13-32/h2-5,7-10,19-20H,6,11-18H2,1H3,(H,31,35,36)
InChIKeyQUTRBEMNJLJANB-UHFFFAOYSA-N
MW512.61 g/mol
LogP3.53
Rot. Bonds

About 23-methyl-17,20-dioxa-4,14,23,27-tetrazahexacyclo[25.6.1.17,14.02,6.08,13.028,33]pentatriaconta-1(34),2(6),7(35),8,10,12,28,30,32-nonaene-3,5-dione

23-methyl-17,20-dioxa-4,14,23,27-tetrazahexacyclo[25.6.1.17,14.02,6.08,13.028,33]pentatriaconta-1(34),2(6),7(35),8,10,12,28,30,32-nonaene-3,5-dione (PubChem CID 10207822) has the molecular formula C30H32N4O4 and a molecular weight of 512.61 g/mol. Its IUPAC name is 23-methyl-17,20-dioxa-4,14,23,27-tetrazahexacyclo[25.6.1.17,14.02,6.08,13.028,33]pentatriaconta-1(34),2(6),7(35),8,10,12,28,30,32-nonaene-3,5-dione.

Molecular Properties

Compound Name23-methyl-17,20-dioxa-4,14,23,27-tetrazahexacyclo[25.6.1.17,14.02,6.08,13.028,33]pentatriaconta-1(34),2(6),7(35),8,10,12,28,30,32-nonaene-3,5-dione
PubChem CID10207822
Molecular FormulaC30H32N4O4
Molecular Weight512.61 g/mol
Exact Mass512.24
IUPAC Name23-methyl-17,20-dioxa-4,14,23,27-tetrazahexacyclo[25.6.1.17,14.02,6.08,13.028,33]pentatriaconta-1(34),2(6),7(35),8,10,12,28,30,32-nonaene-3,5-dione
SMILESCN1CCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCOCCOCC1
InChIInChI=1S/C30H32N4O4/c1-32-11-6-12-33-19-23(21-7-2-4-9-25(21)33)27-28(30(36)31-29(27)35)24-20-34(26-10-5-3-8-22(24)26)14-16-38-18-17-37-15-13-32/h2-5,7-10,19-20H,6,11-18H2,1H3,(H,31,35,36)
InChIKeyQUTRBEMNJLJANB-UHFFFAOYSA-N
XLogP3.53
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 23-methyl-17,20-dioxa-4,14,23,27-tetrazahexacyclo[25.6.1.17,14.02,6.08,13.028,33]pentatriaconta-1(34),2(6),7(35),8,10,12,28,30,32-nonaene-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 23-methyl-17,20-dioxa-4,14,23,27-tetrazahexacyclo[25.6.1.17,14.02,6.08,13.028,33]pentatriaconta-1(34),2(6),7(35),8,10,12,28,30,32-nonaene-3,5-dione?
The IUPAC name of 23-methyl-17,20-dioxa-4,14,23,27-tetrazahexacyclo[25.6.1.17,14.02,6.08,13.028,33]pentatriaconta-1(34),2(6),7(35),8,10,12,28,30,32-nonaene-3,5-dione (CID 10207822) is 23-methyl-17,20-dioxa-4,14,23,27-tetrazahexacyclo[25.6.1.17,14.02,6.08,13.028,33]pentatriaconta-1(34),2(6),7(35),8,10,12,28,30,32-nonaene-3,5-dione.
What is the SMILES notation for 23-methyl-17,20-dioxa-4,14,23,27-tetrazahexacyclo[25.6.1.17,14.02,6.08,13.028,33]pentatriaconta-1(34),2(6),7(35),8,10,12,28,30,32-nonaene-3,5-dione?
The canonical SMILES for 23-methyl-17,20-dioxa-4,14,23,27-tetrazahexacyclo[25.6.1.17,14.02,6.08,13.028,33]pentatriaconta-1(34),2(6),7(35),8,10,12,28,30,32-nonaene-3,5-dione is CN1CCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCOCCOCC1.
What is the InChIKey of 23-methyl-17,20-dioxa-4,14,23,27-tetrazahexacyclo[25.6.1.17,14.02,6.08,13.028,33]pentatriaconta-1(34),2(6),7(35),8,10,12,28,30,32-nonaene-3,5-dione?
The InChIKey is QUTRBEMNJLJANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4/c1-32-11-6-12-33-19-23(21-7-2-4-9-25(21)33)27-28(30(36)31-29(27)35)24-20-34(26-10-5-3-8-22(24)26)14-16-38-18-17-37-15-13-32/h2-5,7-10,19-20H,6,11-18H2,1H3,(H,31,35,36).
What are the key properties of 23-methyl-17,20-dioxa-4,14,23,27-tetrazahexacyclo[25.6.1.17,14.02,6.08,13.028,33]pentatriaconta-1(34),2(6),7(35),8,10,12,28,30,32-nonaene-3,5-dione?
23-methyl-17,20-dioxa-4,14,23,27-tetrazahexacyclo[25.6.1.17,14.02,6.08,13.028,33]pentatriaconta-1(34),2(6),7(35),8,10,12,28,30,32-nonaene-3,5-dione has a molecular weight of 512.61 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 23-methyl-17,20-dioxa-4,14,23,27-tetrazahexacyclo[25.6.1.17,14.02,6.08,13.028,33]pentatriaconta-1(34),2(6),7(35),8,10,12,28,30,32-nonaene-3,5-dione is sourced from PubChem (CID 10207822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).