19-hydroxy-13-methyl-3,7,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione

C20H12N4O3 — CID 44576327

IUPAC19-hydroxy-13-methyl-3,7,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
SMILESCN1C(=O)c2c(c3c4cc(O)ccc4[nH]c3c3[nH]c4ccncc4c23)C1=O
InChIInChI=1S/C20H12N4O3/c1-24-19(26)15-13-9-6-8(25)2-3-11(9)22-17(13)18-14(16(15)20(24)27)10-7-21-5-4-12(10)23-18/h2-7,22-23,25H,1H3
InChIKeyLVBZLPJUJOTLOR-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.28
Rot. Bonds

About 19-hydroxy-13-methyl-3,7,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione

19-hydroxy-13-methyl-3,7,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione (PubChem CID 44576327) has the molecular formula C20H12N4O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 19-hydroxy-13-methyl-3,7,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione.

Molecular Properties

Compound Name19-hydroxy-13-methyl-3,7,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
PubChem CID44576327
Molecular FormulaC20H12N4O3
Molecular Weight356.34 g/mol
Exact Mass356.09
IUPAC Name19-hydroxy-13-methyl-3,7,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
SMILESCN1C(=O)c2c(c3c4cc(O)ccc4[nH]c3c3[nH]c4ccncc4c23)C1=O
InChIInChI=1S/C20H12N4O3/c1-24-19(26)15-13-9-6-8(25)2-3-11(9)22-17(13)18-14(16(15)20(24)27)10-7-21-5-4-12(10)23-18/h2-7,22-23,25H,1H3
InChIKeyLVBZLPJUJOTLOR-UHFFFAOYSA-N
XLogP3.28
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 19-hydroxy-13-methyl-3,7,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19-hydroxy-13-methyl-3,7,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione?
The IUPAC name of 19-hydroxy-13-methyl-3,7,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione (CID 44576327) is 19-hydroxy-13-methyl-3,7,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione.
What is the SMILES notation for 19-hydroxy-13-methyl-3,7,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione?
The canonical SMILES for 19-hydroxy-13-methyl-3,7,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione is CN1C(=O)c2c(c3c4cc(O)ccc4[nH]c3c3[nH]c4ccncc4c23)C1=O.
What is the InChIKey of 19-hydroxy-13-methyl-3,7,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione?
The InChIKey is LVBZLPJUJOTLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O3/c1-24-19(26)15-13-9-6-8(25)2-3-11(9)22-17(13)18-14(16(15)20(24)27)10-7-21-5-4-12(10)23-18/h2-7,22-23,25H,1H3.
What are the key properties of 19-hydroxy-13-methyl-3,7,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione?
19-hydroxy-13-methyl-3,7,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione has a molecular weight of 356.34 g/mol, XLogP of 3.28, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 19-hydroxy-13-methyl-3,7,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione is sourced from PubChem (CID 44576327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).