N-methyl-N-phenylquinoxalino[2,3-f][4,7]phenanthroline-11-carboxamide

C26H17N5O — CID 4652927

IUPACN-methyl-N-phenylquinoxalino[2,3-f][4,7]phenanthroline-11-carboxamide
SMILESCN(C(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)c1ccccc1
InChIInChI=1S/C26H17N5O/c1-31(17-7-3-2-4-8-17)26(32)16-11-12-20-21(15-16)30-25-23-19(10-6-14-28-23)18-9-5-13-27-22(18)24(25)29-20/h2-15H,1H3
InChIKeyLEUQASJCYWSMHA-UHFFFAOYSA-N
MW415.46 g/mol
LogP5.16
Rot. Bonds2

About N-methyl-N-phenylquinoxalino[2,3-f][4,7]phenanthroline-11-carboxamide

N-methyl-N-phenylquinoxalino[2,3-f][4,7]phenanthroline-11-carboxamide (PubChem CID 4652927) has the molecular formula C26H17N5O and a molecular weight of 415.46 g/mol. Its IUPAC name is N-methyl-N-phenylquinoxalino[2,3-f][4,7]phenanthroline-11-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenylquinoxalino[2,3-f][4,7]phenanthroline-11-carboxamide
PubChem CID4652927
Molecular FormulaC26H17N5O
Molecular Weight415.46 g/mol
Exact Mass415.14
IUPAC NameN-methyl-N-phenylquinoxalino[2,3-f][4,7]phenanthroline-11-carboxamide
SMILESCN(C(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)c1ccccc1
InChIInChI=1S/C26H17N5O/c1-31(17-7-3-2-4-8-17)26(32)16-11-12-20-21(15-16)30-25-23-19(10-6-14-28-23)18-9-5-13-27-22(18)24(25)29-20/h2-15H,1H3
InChIKeyLEUQASJCYWSMHA-UHFFFAOYSA-N
XLogP5.16
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide
CID 109057063
N,1-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 95967901
2-[4-(dimethylcarbamoyl)-2-pyridinyl]-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpyridine-4-carboxamide
CID 102007967
phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone
CID 3122495
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),5,7,10,12,14(19),15,17,20,22,24(29),25,27-pentadecaene-6,16,26-tricarboxylic acid;hexakis(yttrium)
CID 91866629
3,4-dihydroxy-N-methyl-N-phenylbenzamide
CID 113199261
5-aminobenzo[f][1,7]naphthyridine-8-carboxylic acid
CID 58213546
N,3-dimethyl-N-phenylbenzotriazole-5-carboxamide
CID 136530360
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
3-hydroxy-N-methyl-N-phenylpyridine-2-carboxamide
CID 60923476
N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692356

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenylquinoxalino[2,3-f][4,7]phenanthroline-11-carboxamide?
The IUPAC name of N-methyl-N-phenylquinoxalino[2,3-f][4,7]phenanthroline-11-carboxamide (CID 4652927) is N-methyl-N-phenylquinoxalino[2,3-f][4,7]phenanthroline-11-carboxamide.
What is the SMILES notation for N-methyl-N-phenylquinoxalino[2,3-f][4,7]phenanthroline-11-carboxamide?
The canonical SMILES for N-methyl-N-phenylquinoxalino[2,3-f][4,7]phenanthroline-11-carboxamide is CN(C(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenylquinoxalino[2,3-f][4,7]phenanthroline-11-carboxamide?
The InChIKey is LEUQASJCYWSMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N5O/c1-31(17-7-3-2-4-8-17)26(32)16-11-12-20-21(15-16)30-25-23-19(10-6-14-28-23)18-9-5-13-27-22(18)24(25)29-20/h2-15H,1H3.
What are the key properties of N-methyl-N-phenylquinoxalino[2,3-f][4,7]phenanthroline-11-carboxamide?
N-methyl-N-phenylquinoxalino[2,3-f][4,7]phenanthroline-11-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenylquinoxalino[2,3-f][4,7]phenanthroline-11-carboxamide is sourced from PubChem (CID 4652927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).