16-(4-hydroxyanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione

C23H16N2O3 — CID 1263311

IUPAC16-(4-hydroxyanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
SMILESCn1c(=O)c(Nc2ccc(O)cc2)c2c3c(cccc31)C(=O)c1ccccc1-2
InChIInChI=1S/C23H16N2O3/c1-25-18-8-4-7-17-19(18)20(15-5-2-3-6-16(15)22(17)27)21(23(25)28)24-13-9-11-14(26)12-10-13/h2-12,24,26H,1H3
InChIKeyIBXWGRMKCNKBSN-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.20
Rot. Bonds2

About 16-(4-hydroxyanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione

16-(4-hydroxyanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione (PubChem CID 1263311) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is 16-(4-hydroxyanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione.

Molecular Properties

Compound Name16-(4-hydroxyanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
PubChem CID1263311
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name16-(4-hydroxyanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
SMILESCn1c(=O)c(Nc2ccc(O)cc2)c2c3c(cccc31)C(=O)c1ccccc1-2
InChIInChI=1S/C23H16N2O3/c1-25-18-8-4-7-17-19(18)20(15-5-2-3-6-16(15)22(17)27)21(23(25)28)24-13-9-11-14(26)12-10-13/h2-12,24,26H,1H3
InChIKeyIBXWGRMKCNKBSN-UHFFFAOYSA-N
XLogP4.20
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 16-(4-hydroxyanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-(4-hydroxyanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
The IUPAC name of 16-(4-hydroxyanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione (CID 1263311) is 16-(4-hydroxyanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione.
What is the SMILES notation for 16-(4-hydroxyanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
The canonical SMILES for 16-(4-hydroxyanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione is Cn1c(=O)c(Nc2ccc(O)cc2)c2c3c(cccc31)C(=O)c1ccccc1-2.
What is the InChIKey of 16-(4-hydroxyanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
The InChIKey is IBXWGRMKCNKBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3/c1-25-18-8-4-7-17-19(18)20(15-5-2-3-6-16(15)22(17)27)21(23(25)28)24-13-9-11-14(26)12-10-13/h2-12,24,26H,1H3.
What are the key properties of 16-(4-hydroxyanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
16-(4-hydroxyanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione has a molecular weight of 368.39 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(4-hydroxyanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione is sourced from PubChem (CID 1263311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).