9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide

C33H17N5O3 — CID 102007965

IUPAC9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide
SMILESO=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C33H17N5O3/c39-31-19-5-1-2-6-20(19)32(40)24-15-17(9-11-21(24)31)33(41)36-18-10-12-25-26(16-18)38-30-23-8-4-14-35-28(23)27-22(29(30)37-25)7-3-13-34-27/h1-16H,(H,36,41)
InChIKeyWODYOEINNOZMPF-UHFFFAOYSA-N
MW531.53 g/mol
LogP5.91
Rot. Bonds2

About 9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide

9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide (PubChem CID 102007965) has the molecular formula C33H17N5O3 and a molecular weight of 531.53 g/mol. Its IUPAC name is 9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide.

Molecular Properties

Compound Name9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide
PubChem CID102007965
Molecular FormulaC33H17N5O3
Molecular Weight531.53 g/mol
Exact Mass531.13
IUPAC Name9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide
SMILESO=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C33H17N5O3/c39-31-19-5-1-2-6-20(19)32(40)24-15-17(9-11-21(24)31)33(41)36-18-10-12-25-26(16-18)38-30-23-8-4-14-35-28(23)27-22(29(30)37-25)7-3-13-34-27/h1-16H,(H,36,41)
InChIKeyWODYOEINNOZMPF-UHFFFAOYSA-N
XLogP5.91
TPSA114.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.53
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide
CID 122363971
2-[4-(dimethylcarbamoyl)-2-pyridinyl]-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpyridine-4-carboxamide
CID 102007967
N-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide
CID 3107678
4-[(9,10-dioxoanthracene-2-carbonyl)amino]benzoic acid
CID 155606415
9-oxo-N-pyridin-2-ylfluorene-2-carboxamide
CID 16613081
1-(2-chlorophenyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea
CID 126339621
N-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide
CID 2857830
1-(3-hydroxypropyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea
CID 5030725
N-(4-chlorophenyl)-9-oxofluorene-2-carboxamide
CID 42064363
N-benzo[a]phenazin-10-yl-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 126343294
N-quinolin-6-ylbenzamide
CID 833617
N-[4-[[4-hydroxy-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-9,10-dioxoanthracene-2-carboxamide
CID 146542595

Frequently Asked Questions

What is the IUPAC name of 9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide?
The IUPAC name of 9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide (CID 102007965) is 9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide.
What is the SMILES notation for 9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide?
The canonical SMILES for 9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide is O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide?
The InChIKey is WODYOEINNOZMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H17N5O3/c39-31-19-5-1-2-6-20(19)32(40)24-15-17(9-11-21(24)31)33(41)36-18-10-12-25-26(16-18)38-30-23-8-4-14-35-28(23)27-22(29(30)37-25)7-3-13-34-27/h1-16H,(H,36,41).
What are the key properties of 9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide?
9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide has a molecular weight of 531.53 g/mol, XLogP of 5.91, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide is sourced from PubChem (CID 102007965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).