N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenoxypyridine-3-carboxamide

C27H20N4O4 — CID 55799126

IUPACN-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenoxypyridine-3-carboxamide
SMILESO=C1CN(C(=O)c2ccc(NC(=O)c3cccnc3Oc3ccccc3)cc2)c2ccccc2N1
InChIInChI=1S/C27H20N4O4/c32-24-17-31(23-11-5-4-10-22(23)30-24)27(34)18-12-14-19(15-13-18)29-25(33)21-9-6-16-28-26(21)35-20-7-2-1-3-8-20/h1-16H,17H2,(H,29,33)(H,30,32)
InChIKeyPDPICPAWLMAEAI-UHFFFAOYSA-N
MW464.48 g/mol
LogP4.73
Rot. Bonds5

About N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenoxypyridine-3-carboxamide

N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenoxypyridine-3-carboxamide (PubChem CID 55799126) has the molecular formula C27H20N4O4 and a molecular weight of 464.48 g/mol. Its IUPAC name is N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenoxypyridine-3-carboxamide
PubChem CID55799126
Molecular FormulaC27H20N4O4
Molecular Weight464.48 g/mol
Exact Mass464.15
IUPAC NameN-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenoxypyridine-3-carboxamide
SMILESO=C1CN(C(=O)c2ccc(NC(=O)c3cccnc3Oc3ccccc3)cc2)c2ccccc2N1
InChIInChI=1S/C27H20N4O4/c32-24-17-31(23-11-5-4-10-22(23)30-24)27(34)18-12-14-19(15-13-18)29-25(33)21-9-6-16-28-26(21)35-20-7-2-1-3-8-20/h1-16H,17H2,(H,29,33)(H,30,32)
InChIKeyPDPICPAWLMAEAI-UHFFFAOYSA-N
XLogP4.73
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751105
2,3-dimethyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55798550
3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55750751
4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 55750839
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55750721
3-acetamido-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751098
2-(difluoromethoxy)-3-methoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55798612
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-(methylsulfonylmethyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751111
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55750902
N-(4-methoxyphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513637
(E)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-phenylprop-2-enamide
CID 55750852

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenoxypyridine-3-carboxamide?
The IUPAC name of N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenoxypyridine-3-carboxamide (CID 55799126) is N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenoxypyridine-3-carboxamide is O=C1CN(C(=O)c2ccc(NC(=O)c3cccnc3Oc3ccccc3)cc2)c2ccccc2N1.
What is the InChIKey of N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenoxypyridine-3-carboxamide?
The InChIKey is PDPICPAWLMAEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O4/c32-24-17-31(23-11-5-4-10-22(23)30-24)27(34)18-12-14-19(15-13-18)29-25(33)21-9-6-16-28-26(21)35-20-7-2-1-3-8-20/h1-16H,17H2,(H,29,33)(H,30,32).
What are the key properties of N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenoxypyridine-3-carboxamide?
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenoxypyridine-3-carboxamide has a molecular weight of 464.48 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 55799126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).