N-butan-2-yl-3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanamide

C17H24N4O2 — CID 91951115

IUPACN-butan-2-yl-3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanamide
SMILESCCC(C)NC(=O)CCn1c(=O)c(N(C)C)nc2ccccc21
InChIInChI=1S/C17H24N4O2/c1-5-12(2)18-15(22)10-11-21-14-9-7-6-8-13(14)19-16(17(21)23)20(3)4/h6-9,12H,5,10-11H2,1-4H3,(H,18,22)
InChIKeyYRDNUHRJEYYKLC-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.77
Rot. Bonds6

About N-butan-2-yl-3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanamide

N-butan-2-yl-3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanamide (PubChem CID 91951115) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-butan-2-yl-3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanamide
PubChem CID91951115
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-butan-2-yl-3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanamide
SMILESCCC(C)NC(=O)CCn1c(=O)c(N(C)C)nc2ccccc21
InChIInChI=1S/C17H24N4O2/c1-5-12(2)18-15(22)10-11-21-14-9-7-6-8-13(14)19-16(17(21)23)20(3)4/h6-9,12H,5,10-11H2,1-4H3,(H,18,22)
InChIKeyYRDNUHRJEYYKLC-UHFFFAOYSA-N
XLogP1.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylamino)-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one
CID 91951068
3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide
CID 91951089
3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one
CID 91951087
N-[(2S)-butan-2-yl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 92889336
N-butan-2-yl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide
CID 63002029
3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide
CID 91951013
3-(dimethylamino)-1-methylquinoxalin-2-one
CID 1471092
tert-butyl N-[1-[3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanoyl]piperidin-4-yl]carbamate
CID 91951145
N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171399
3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 91951168
2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide
CID 17032336
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanamide?
The IUPAC name of N-butan-2-yl-3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanamide (CID 91951115) is N-butan-2-yl-3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanamide?
The canonical SMILES for N-butan-2-yl-3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanamide is CCC(C)NC(=O)CCn1c(=O)c(N(C)C)nc2ccccc21.
What is the InChIKey of N-butan-2-yl-3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanamide?
The InChIKey is YRDNUHRJEYYKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-5-12(2)18-15(22)10-11-21-14-9-7-6-8-13(14)19-16(17(21)23)20(3)4/h6-9,12H,5,10-11H2,1-4H3,(H,18,22).
What are the key properties of N-butan-2-yl-3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanamide?
N-butan-2-yl-3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanamide has a molecular weight of 316.41 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanamide is sourced from PubChem (CID 91951115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).