15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylic acid

C24H11NO6 — CID 18699150

IUPAC15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylic acid
SMILESO=C(O)c1ccc2c3ccc4c5c(ccc(c6ccc(C(=O)O)c1c26)c53)C(=O)NC4=O
InChIInChI=1S/C24H11NO6/c26-21-13-5-1-9-11-3-7-15(23(28)29)20-16(24(30)31)8-4-12(18(11)20)10-2-6-14(22(27)25-21)19(13)17(9)10/h1-8H,(H,28,29)(H,30,31)(H,25,26,27)
InChIKeyUDSOBQUPZDBBNO-UHFFFAOYSA-N
MW409.35 g/mol
LogP4.02
Rot. Bonds2

About 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylic acid

15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylic acid (PubChem CID 18699150) has the molecular formula C24H11NO6 and a molecular weight of 409.35 g/mol. Its IUPAC name is 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylic acid.

Molecular Properties

Compound Name15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylic acid
PubChem CID18699150
Molecular FormulaC24H11NO6
Molecular Weight409.35 g/mol
Exact Mass409.06
IUPAC Name15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylic acid
SMILESO=C(O)c1ccc2c3ccc4c5c(ccc(c6ccc(C(=O)O)c1c26)c53)C(=O)NC4=O
InChIInChI=1S/C24H11NO6/c26-21-13-5-1-9-11-3-7-15(23(28)29)20-16(24(30)31)8-4-12(18(11)20)10-2-6-14(22(27)25-21)19(13)17(9)10/h1-8H,(H,28,29)(H,30,31)(H,25,26,27)
InChIKeyUDSOBQUPZDBBNO-UHFFFAOYSA-N
XLogP4.02
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylic acid?
The IUPAC name of 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylic acid (CID 18699150) is 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylic acid.
What is the SMILES notation for 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylic acid?
The canonical SMILES for 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylic acid is O=C(O)c1ccc2c3ccc4c5c(ccc(c6ccc(C(=O)O)c1c26)c53)C(=O)NC4=O.
What is the InChIKey of 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylic acid?
The InChIKey is UDSOBQUPZDBBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H11NO6/c26-21-13-5-1-9-11-3-7-15(23(28)29)20-16(24(30)31)8-4-12(18(11)20)10-2-6-14(22(27)25-21)19(13)17(9)10/h1-8H,(H,28,29)(H,30,31)(H,25,26,27).
What are the key properties of 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylic acid?
15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylic acid has a molecular weight of 409.35 g/mol, XLogP of 4.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylic acid is sourced from PubChem (CID 18699150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).