1-[4-(furan-2-carbonyl)-6-[4-[1-(2-hydroxyethylamino)ethenyl]phenyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

C26H27N3O4 — CID 146340731

IUPAC1-[4-(furan-2-carbonyl)-6-[4-[1-(2-hydroxyethylamino)ethenyl]phenyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESC=C(NCCO)c1ccc(-c2ccc3c(c2)N(C(=O)c2ccco2)CC(C)N3C(C)=O)cc1
InChIInChI=1S/C26H27N3O4/c1-17-16-28(26(32)25-5-4-14-33-25)24-15-22(10-11-23(24)29(17)19(3)31)21-8-6-20(7-9-21)18(2)27-12-13-30/h4-11,14-15,17,27,30H,2,12-13,16H2,1,3H3
InChIKeyRRROWZFZDKLJNQ-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.90
Rot. Bonds6

About 1-[4-(furan-2-carbonyl)-6-[4-[1-(2-hydroxyethylamino)ethenyl]phenyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

1-[4-(furan-2-carbonyl)-6-[4-[1-(2-hydroxyethylamino)ethenyl]phenyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 146340731) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)-6-[4-[1-(2-hydroxyethylamino)ethenyl]phenyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)-6-[4-[1-(2-hydroxyethylamino)ethenyl]phenyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
PubChem CID146340731
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name1-[4-(furan-2-carbonyl)-6-[4-[1-(2-hydroxyethylamino)ethenyl]phenyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESC=C(NCCO)c1ccc(-c2ccc3c(c2)N(C(=O)c2ccco2)CC(C)N3C(C)=O)cc1
InChIInChI=1S/C26H27N3O4/c1-17-16-28(26(32)25-5-4-14-33-25)24-15-22(10-11-23(24)29(17)19(3)31)21-8-6-20(7-9-21)18(2)27-12-13-30/h4-11,14-15,17,27,30H,2,12-13,16H2,1,3H3
InChIKeyRRROWZFZDKLJNQ-UHFFFAOYSA-N
XLogP3.90
TPSA86.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-phenyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079690
1-[(2S)-6-(4-fluorophenyl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118080057
4-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-N-methylbenzenesulfonamide
CID 118080365
1-[4-(furan-2-carbonyl)-2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123620645
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-[4-(1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079116
5-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-1,3-dimethylbenzimidazol-2-one
CID 118079335
1-[(2S)-6-[3-(dimethylamino)phenyl]-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079242
1-[6-benzoyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 146340626
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1,3-oxazol-2-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118078994
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(pyrrolidine-1-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079138
2-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-N-methylbenzenesulfonamide
CID 141458039
1-[4-(furan-2-carbonyl)-6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079769

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)-6-[4-[1-(2-hydroxyethylamino)ethenyl]phenyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The IUPAC name of 1-[4-(furan-2-carbonyl)-6-[4-[1-(2-hydroxyethylamino)ethenyl]phenyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (CID 146340731) is 1-[4-(furan-2-carbonyl)-6-[4-[1-(2-hydroxyethylamino)ethenyl]phenyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)-6-[4-[1-(2-hydroxyethylamino)ethenyl]phenyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The canonical SMILES for 1-[4-(furan-2-carbonyl)-6-[4-[1-(2-hydroxyethylamino)ethenyl]phenyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is C=C(NCCO)c1ccc(-c2ccc3c(c2)N(C(=O)c2ccco2)CC(C)N3C(C)=O)cc1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)-6-[4-[1-(2-hydroxyethylamino)ethenyl]phenyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The InChIKey is RRROWZFZDKLJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-17-16-28(26(32)25-5-4-14-33-25)24-15-22(10-11-23(24)29(17)19(3)31)21-8-6-20(7-9-21)18(2)27-12-13-30/h4-11,14-15,17,27,30H,2,12-13,16H2,1,3H3.
What are the key properties of 1-[4-(furan-2-carbonyl)-6-[4-[1-(2-hydroxyethylamino)ethenyl]phenyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
1-[4-(furan-2-carbonyl)-6-[4-[1-(2-hydroxyethylamino)ethenyl]phenyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 445.52 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)-6-[4-[1-(2-hydroxyethylamino)ethenyl]phenyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 146340731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).