N-butan-2-yl-4-oxo-4-(4H-pyrrolo[1,2-a]quinoxalin-5-yl)butanamide

C19H23N3O2 — CID 46378033

IUPACN-butan-2-yl-4-oxo-4-(4H-pyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESCCC(C)NC(=O)CCC(=O)N1Cc2cccn2-c2ccccc21
InChIInChI=1S/C19H23N3O2/c1-3-14(2)20-18(23)10-11-19(24)22-13-15-7-6-12-21(15)16-8-4-5-9-17(16)22/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,20,23)
InChIKeyVGBGBFPMIGIRFF-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.02
Rot. Bonds5

About N-butan-2-yl-4-oxo-4-(4H-pyrrolo[1,2-a]quinoxalin-5-yl)butanamide

N-butan-2-yl-4-oxo-4-(4H-pyrrolo[1,2-a]quinoxalin-5-yl)butanamide (PubChem CID 46378033) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-butan-2-yl-4-oxo-4-(4H-pyrrolo[1,2-a]quinoxalin-5-yl)butanamide.

Molecular Properties

Compound NameN-butan-2-yl-4-oxo-4-(4H-pyrrolo[1,2-a]quinoxalin-5-yl)butanamide
PubChem CID46378033
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-butan-2-yl-4-oxo-4-(4H-pyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESCCC(C)NC(=O)CCC(=O)N1Cc2cccn2-c2ccccc21
InChIInChI=1S/C19H23N3O2/c1-3-14(2)20-18(23)10-11-19(24)22-13-15-7-6-12-21(15)16-8-4-5-9-17(16)22/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,20,23)
InChIKeyVGBGBFPMIGIRFF-UHFFFAOYSA-N
XLogP3.02
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-4-oxo-4-(4H-pyrrolo[1,2-a]quinoxalin-5-yl)butanamide 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

4-(8-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-4-oxobutanoic acid
CID 53213288
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(2S)-1-hydroxypropan-2-yl]-4-oxobutanamide
CID 97237050
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-oxobutanamide
CID 55948679
N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide
CID 109012970
N-butan-2-yl-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide
CID 20929085
3-benzylsulfanyl-N-butan-2-ylpropanamide
CID 19916451
2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 40654458
4-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-4-oxo-N-(1-oxopropan-2-yl)butanamide
CID 142450263
N-butan-2-yl-4-oxopentanamide
CID 60635035
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2,2-dimethyl-1-phenylpropyl)-4-oxobutanamide
CID 56582713
2-[2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 79322277
3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide
CID 61022348

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-oxo-4-(4H-pyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The IUPAC name of N-butan-2-yl-4-oxo-4-(4H-pyrrolo[1,2-a]quinoxalin-5-yl)butanamide (CID 46378033) is N-butan-2-yl-4-oxo-4-(4H-pyrrolo[1,2-a]quinoxalin-5-yl)butanamide.
What is the SMILES notation for N-butan-2-yl-4-oxo-4-(4H-pyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The canonical SMILES for N-butan-2-yl-4-oxo-4-(4H-pyrrolo[1,2-a]quinoxalin-5-yl)butanamide is CCC(C)NC(=O)CCC(=O)N1Cc2cccn2-c2ccccc21.
What is the InChIKey of N-butan-2-yl-4-oxo-4-(4H-pyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The InChIKey is VGBGBFPMIGIRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-14(2)20-18(23)10-11-19(24)22-13-15-7-6-12-21(15)16-8-4-5-9-17(16)22/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,20,23).
What are the key properties of N-butan-2-yl-4-oxo-4-(4H-pyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
N-butan-2-yl-4-oxo-4-(4H-pyrrolo[1,2-a]quinoxalin-5-yl)butanamide has a molecular weight of 325.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-oxo-4-(4H-pyrrolo[1,2-a]quinoxalin-5-yl)butanamide is sourced from PubChem (CID 46378033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).