2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)-2-quinolin-4-ylacetamide

C30H22N4O4 — CID 53383349

IUPAC2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)-2-quinolin-4-ylacetamide
SMILESCOc1ccc(NC(=O)C(c2ccnc3ccccc23)n2c(=O)c(-c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C30H22N4O4/c1-37-20-14-12-19(13-15-20)32-29(35)28(22-16-17-31-23-8-3-2-7-21(22)23)34-25-10-5-4-9-24(25)33-27(30(34)36)26-11-6-18-38-26/h2-18,28H,1H3,(H,32,35)
InChIKeyWAGLVRMLVMEZQG-UHFFFAOYSA-N
MW502.53 g/mol
LogP5.44
Rot. Bonds6

About 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)-2-quinolin-4-ylacetamide

2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)-2-quinolin-4-ylacetamide (PubChem CID 53383349) has the molecular formula C30H22N4O4 and a molecular weight of 502.53 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)-2-quinolin-4-ylacetamide.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)-2-quinolin-4-ylacetamide
PubChem CID53383349
Molecular FormulaC30H22N4O4
Molecular Weight502.53 g/mol
Exact Mass502.16
IUPAC Name2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)-2-quinolin-4-ylacetamide
SMILESCOc1ccc(NC(=O)C(c2ccnc3ccccc23)n2c(=O)c(-c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C30H22N4O4/c1-37-20-14-12-19(13-15-20)32-29(35)28(22-16-17-31-23-8-3-2-7-21(22)23)34-25-10-5-4-9-24(25)33-27(30(34)36)26-11-6-18-38-26/h2-18,28H,1H3,(H,32,35)
InChIKeyWAGLVRMLVMEZQG-UHFFFAOYSA-N
XLogP5.44
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.53
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 50746440
2-(1-benzofuran-2-yl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide
CID 53383147
N-benzyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 53383163
1-[1H-benzimidazol-2-yl(pyridin-2-yl)methyl]-3-(furan-2-yl)quinoxalin-2-one
CID 53383495
(4-methoxyphenyl)-quinolin-4-ylmethanol
CID 63893984
4-methoxy-N-(quinolin-4-ylmethyl)aniline
CID 63850882
1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea
CID 35280532
1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 105095031
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-acetylphenyl)propanamide
CID 20894940
N-[1-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 17030191
N-(4-methoxyphenyl)benzotriazole-1-carboxamide
CID 87105229
2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide
CID 43022874

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)-2-quinolin-4-ylacetamide?
The IUPAC name of 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)-2-quinolin-4-ylacetamide (CID 53383349) is 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)-2-quinolin-4-ylacetamide.
What is the SMILES notation for 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)-2-quinolin-4-ylacetamide?
The canonical SMILES for 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)-2-quinolin-4-ylacetamide is COc1ccc(NC(=O)C(c2ccnc3ccccc23)n2c(=O)c(-c3ccco3)nc3ccccc32)cc1.
What is the InChIKey of 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)-2-quinolin-4-ylacetamide?
The InChIKey is WAGLVRMLVMEZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4O4/c1-37-20-14-12-19(13-15-20)32-29(35)28(22-16-17-31-23-8-3-2-7-21(22)23)34-25-10-5-4-9-24(25)33-27(30(34)36)26-11-6-18-38-26/h2-18,28H,1H3,(H,32,35).
What are the key properties of 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)-2-quinolin-4-ylacetamide?
2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)-2-quinolin-4-ylacetamide has a molecular weight of 502.53 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)-2-quinolin-4-ylacetamide is sourced from PubChem (CID 53383349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).