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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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).