4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide

C25H30N4O3 — CID 50838551

IUPAC4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCC(C)Cn1c(=O)c(-c2ccc(C(=O)NCCN3CCOCC3)cc2)nc2ccccc21
InChIInChI=1S/C25H30N4O3/c1-18(2)17-29-22-6-4-3-5-21(22)27-23(25(29)31)19-7-9-20(10-8-19)24(30)26-11-12-28-13-15-32-16-14-28/h3-10,18H,11-17H2,1-2H3,(H,26,30)
InChIKeyIYGDRDJUSIPVHI-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.78
Rot. Bonds7

About 4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide

4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 50838551) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID50838551
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCC(C)Cn1c(=O)c(-c2ccc(C(=O)NCCN3CCOCC3)cc2)nc2ccccc21
InChIInChI=1S/C25H30N4O3/c1-18(2)17-29-22-6-4-3-5-21(22)27-23(25(29)31)19-7-9-20(10-8-19)24(30)26-11-12-28-13-15-32-16-14-28/h3-10,18H,11-17H2,1-2H3,(H,26,30)
InChIKeyIYGDRDJUSIPVHI-UHFFFAOYSA-N
XLogP2.78
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide
CID 92898885
N-[3-(azepan-1-yl)propyl]-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
CID 46395254
3-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1-(2-methylpropyl)quinoxalin-2-one
CID 50838544
4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide
CID 57383478
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 848727
N-(3-ethoxypropyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
CID 50838486
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 1220212
3-methyl-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 5008423
3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 118779645
N-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 157012475
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063067

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide (CID 50838551) is 4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide is CC(C)Cn1c(=O)c(-c2ccc(C(=O)NCCN3CCOCC3)cc2)nc2ccccc21.
What is the InChIKey of 4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is IYGDRDJUSIPVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-18(2)17-29-22-6-4-3-5-21(22)27-23(25(29)31)19-7-9-20(10-8-19)24(30)26-11-12-28-13-15-32-16-14-28/h3-10,18H,11-17H2,1-2H3,(H,26,30).
What are the key properties of 4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide?
4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 434.54 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 50838551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).