13-hydroxy-23-methyl-3,5,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione

C20H12N4O3 — CID 155813737

IUPAC13-hydroxy-23-methyl-3,5,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
SMILESCn1c2ccccc2c2c3c(c4c5cccnc5[nH]c4c21)C(=O)N(O)C3=O
InChIInChI=1S/C20H12N4O3/c1-23-11-7-3-2-5-9(11)13-15-14(19(25)24(27)20(15)26)12-10-6-4-8-21-18(10)22-16(12)17(13)23/h2-8,27H,1H3,(H,21,22)
InChIKeyUYDMKLMGZPFYIB-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.35
Rot. Bonds

About 13-hydroxy-23-methyl-3,5,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione

13-hydroxy-23-methyl-3,5,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione (PubChem CID 155813737) has the molecular formula C20H12N4O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 13-hydroxy-23-methyl-3,5,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione.

Molecular Properties

Compound Name13-hydroxy-23-methyl-3,5,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
PubChem CID155813737
Molecular FormulaC20H12N4O3
Molecular Weight356.34 g/mol
Exact Mass356.09
IUPAC Name13-hydroxy-23-methyl-3,5,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
SMILESCn1c2ccccc2c2c3c(c4c5cccnc5[nH]c4c21)C(=O)N(O)C3=O
InChIInChI=1S/C20H12N4O3/c1-23-11-7-3-2-5-9(11)13-15-14(19(25)24(27)20(15)26)12-10-6-4-8-21-18(10)22-16(12)17(13)23/h2-8,27H,1H3,(H,21,22)
InChIKeyUYDMKLMGZPFYIB-UHFFFAOYSA-N
XLogP3.35
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 13-hydroxy-23-methyl-3,5,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione?
The IUPAC name of 13-hydroxy-23-methyl-3,5,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione (CID 155813737) is 13-hydroxy-23-methyl-3,5,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione.
What is the SMILES notation for 13-hydroxy-23-methyl-3,5,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione?
The canonical SMILES for 13-hydroxy-23-methyl-3,5,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione is Cn1c2ccccc2c2c3c(c4c5cccnc5[nH]c4c21)C(=O)N(O)C3=O.
What is the InChIKey of 13-hydroxy-23-methyl-3,5,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione?
The InChIKey is UYDMKLMGZPFYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O3/c1-23-11-7-3-2-5-9(11)13-15-14(19(25)24(27)20(15)26)12-10-6-4-8-21-18(10)22-16(12)17(13)23/h2-8,27H,1H3,(H,21,22).
What are the key properties of 13-hydroxy-23-methyl-3,5,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione?
13-hydroxy-23-methyl-3,5,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione has a molecular weight of 356.34 g/mol, XLogP of 3.35, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-hydroxy-23-methyl-3,5,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione is sourced from PubChem (CID 155813737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).