N-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide

C25H23N3O4 — CID 17447565

IUPACN-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide
SMILESCOc1ccc(NC(=O)CCc2nc3ccccc3n(-c3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C25H23N3O4/c1-31-19-11-7-17(8-12-19)26-24(29)16-15-22-25(30)28(18-9-13-20(32-2)14-10-18)23-6-4-3-5-21(23)27-22/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyIPLRLTNCPHVDNU-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.97
Rot. Bonds7

About N-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide

N-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide (PubChem CID 17447565) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide
PubChem CID17447565
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide
SMILESCOc1ccc(NC(=O)CCc2nc3ccccc3n(-c3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C25H23N3O4/c1-31-19-11-7-17(8-12-19)26-24(29)16-15-22-25(30)28(18-9-13-20(32-2)14-10-18)23-6-4-3-5-21(23)27-22/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyIPLRLTNCPHVDNU-UHFFFAOYSA-N
XLogP3.97
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate
CID 7203672
3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46290493
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide
CID 42907186
3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7577823
3-[4-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129317
N-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 26888965
3-(3-methoxyquinoxalin-2-yl)-N-phenylpropanamide
CID 6460420
3-[4-[2-(4-bromoanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129343
3-[4-[2-(3-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129376
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
N-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 110205717
N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164677

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide (CID 17447565) is N-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide is COc1ccc(NC(=O)CCc2nc3ccccc3n(-c3ccc(OC)cc3)c2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide?
The InChIKey is IPLRLTNCPHVDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-31-19-11-7-17(8-12-19)26-24(29)16-15-22-25(30)28(18-9-13-20(32-2)14-10-18)23-6-4-3-5-21(23)27-22/h3-14H,15-16H2,1-2H3,(H,26,29).
What are the key properties of N-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide?
N-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide has a molecular weight of 429.48 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide is sourced from PubChem (CID 17447565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).