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

C21H15ClN4O3 — CID 55750839

IUPAC4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide
SMILESO=C1CN(C(=O)c2ccc(NC(=O)c3cc(Cl)ccn3)cc2)c2ccccc2N1
InChIInChI=1S/C21H15ClN4O3/c22-14-9-10-23-17(11-14)20(28)24-15-7-5-13(6-8-15)21(29)26-12-19(27)25-16-3-1-2-4-18(16)26/h1-11H,12H2,(H,24,28)(H,25,27)
InChIKeyAKOZRWUWZIMWGB-UHFFFAOYSA-N
MW406.83 g/mol
LogP3.59
Rot. Bonds3

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

4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide (PubChem CID 55750839) has the molecular formula C21H15ClN4O3 and a molecular weight of 406.83 g/mol. Its IUPAC name is 4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide
PubChem CID55750839
Molecular FormulaC21H15ClN4O3
Molecular Weight406.83 g/mol
Exact Mass406.08
IUPAC Name4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide
SMILESO=C1CN(C(=O)c2ccc(NC(=O)c3cc(Cl)ccn3)cc2)c2ccccc2N1
InChIInChI=1S/C21H15ClN4O3/c22-14-9-10-23-17(11-14)20(28)24-15-7-5-13(6-8-15)21(29)26-12-19(27)25-16-3-1-2-4-18(16)26/h1-11H,12H2,(H,24,28)(H,25,27)
InChIKeyAKOZRWUWZIMWGB-UHFFFAOYSA-N
XLogP3.59
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.83
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751105
3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55750751
2-(2,5-dichlorophenoxy)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide
CID 55751125
3-acetamido-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751098
5-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55750849
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenoxypyridine-3-carboxamide
CID 55799126
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55750721
2,3-dimethyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55798550
4-[4-(methylamino)pyridine-2-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 62170717
4-chloro-N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]benzamide
CID 55750719
2-(2,4-dichlorophenoxy)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide
CID 55750853
4-(methylsulfonylmethyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751111

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide (CID 55750839) is 4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide is O=C1CN(C(=O)c2ccc(NC(=O)c3cc(Cl)ccn3)cc2)c2ccccc2N1.
What is the InChIKey of 4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide?
The InChIKey is AKOZRWUWZIMWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O3/c22-14-9-10-23-17(11-14)20(28)24-15-7-5-13(6-8-15)21(29)26-12-19(27)25-16-3-1-2-4-18(16)26/h1-11H,12H2,(H,24,28)(H,25,27).
What are the key properties of 4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide?
4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide has a molecular weight of 406.83 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 55750839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).