N-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide

C28H19N3O — CID 2857830

IUPACN-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1
InChIInChI=1S/C28H19N3O/c1-17-10-13-19(14-11-17)29-28(32)18-12-15-24-25(16-18)31-27-23-9-5-3-7-21(23)20-6-2-4-8-22(20)26(27)30-24/h2-16H,1H3,(H,29,32)
InChIKeyFBYUZPNMUUMCEI-UHFFFAOYSA-N
MW413.48 g/mol
LogP6.65
Rot. Bonds2

About N-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide

N-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide (PubChem CID 2857830) has the molecular formula C28H19N3O and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide
PubChem CID2857830
Molecular FormulaC28H19N3O
Molecular Weight413.48 g/mol
Exact Mass413.15
IUPAC NameN-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1
InChIInChI=1S/C28H19N3O/c1-17-10-13-19(14-11-17)29-28(32)18-12-15-24-25(16-18)31-27-23-9-5-3-7-21(23)20-6-2-4-8-22(20)26(27)30-24/h2-16H,1H3,(H,29,32)
InChIKeyFBYUZPNMUUMCEI-UHFFFAOYSA-N
XLogP6.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', '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-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide
CID 3107678
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone
CID 3122495
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
N-(3-hydroxypropyl)phenanthro[9,10-b]quinoxaline-11-carboxamide
CID 3105372
4-ethenyl-3-methyl-N-(4-methylphenyl)benzamide
CID 20735310
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
3-hydroxy-N-(4-methylphenyl)benzamide
CID 10900357
9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide
CID 102007965
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110669843
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide?
The IUPAC name of N-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide (CID 2857830) is N-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide?
The canonical SMILES for N-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide is Cc1ccc(NC(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1.
What is the InChIKey of N-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide?
The InChIKey is FBYUZPNMUUMCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3O/c1-17-10-13-19(14-11-17)29-28(32)18-12-15-24-25(16-18)31-27-23-9-5-3-7-21(23)20-6-2-4-8-22(20)26(27)30-24/h2-16H,1H3,(H,29,32).
What are the key properties of N-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide?
N-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 6.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide is sourced from PubChem (CID 2857830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).