N-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide

C27H17N3O — CID 3107678

IUPACN-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1
InChIInChI=1S/C27H17N3O/c31-27(28-18-8-2-1-3-9-18)17-14-15-23-24(16-17)30-26-22-13-7-5-11-20(22)19-10-4-6-12-21(19)25(26)29-23/h1-16H,(H,28,31)
InChIKeyFFKQTBHRMAKCBR-UHFFFAOYSA-N
MW399.45 g/mol
LogP6.34
Rot. Bonds2

About N-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide

N-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide (PubChem CID 3107678) has the molecular formula C27H17N3O and a molecular weight of 399.45 g/mol. Its IUPAC name is N-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide.

Molecular Properties

Compound NameN-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide
PubChem CID3107678
Molecular FormulaC27H17N3O
Molecular Weight399.45 g/mol
Exact Mass399.14
IUPAC NameN-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1
InChIInChI=1S/C27H17N3O/c31-27(28-18-8-2-1-3-9-18)17-14-15-23-24(16-17)30-26-22-13-7-5-11-20(22)19-10-4-6-12-21(19)25(26)29-23/h1-16H,(H,28,31)
InChIKeyFFKQTBHRMAKCBR-UHFFFAOYSA-N
XLogP6.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 56.34
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-(4-methylphenyl)phenanthro[9,10-b]quinoxaline-11-carboxamide
CID 2857830
phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone
CID 3122495
N-(3-hydroxypropyl)phenanthro[9,10-b]quinoxaline-11-carboxamide
CID 3105372
N-phenyl-2,1,3-benzothiadiazole-5-carboxamide
CID 684852
4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide
CID 59301844
molecular hydrogen;N-phenylbenzamide
CID 145238042
9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide
CID 102007965
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
2,3-dimethyl-N-(2-methylquinolin-4-yl)quinoxaline-6-carboxamide
CID 29152059
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831

Frequently Asked Questions

What is the IUPAC name of N-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide?
The IUPAC name of N-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide (CID 3107678) is N-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide.
What is the SMILES notation for N-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide?
The canonical SMILES for N-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide is O=C(Nc1ccccc1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1.
What is the InChIKey of N-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide?
The InChIKey is FFKQTBHRMAKCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3O/c31-27(28-18-8-2-1-3-9-18)17-14-15-23-24(16-17)30-26-22-13-7-5-11-20(22)19-10-4-6-12-21(19)25(26)29-23/h1-16H,(H,28,31).
What are the key properties of N-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide?
N-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 6.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide is sourced from PubChem (CID 3107678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).