N-[(4-chlorophenyl)methyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide

C22H20ClN3O2 — CID 22522604

IUPACN-[(4-chlorophenyl)methyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESO=C(CCCn1c(=O)c2cccn2c2ccccc21)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H20ClN3O2/c23-17-11-9-16(10-12-17)15-24-21(27)8-4-14-26-19-6-2-1-5-18(19)25-13-3-7-20(25)22(26)28/h1-3,5-7,9-13H,4,8,14-15H2,(H,24,27)
InChIKeyWZOOTWLCZLWOEK-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.00
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide

N-[(4-chlorophenyl)methyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide (PubChem CID 22522604) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
PubChem CID22522604
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESO=C(CCCn1c(=O)c2cccn2c2ccccc21)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H20ClN3O2/c23-17-11-9-16(10-12-17)15-24-21(27)8-4-14-26-19-6-2-1-5-18(19)25-13-3-7-20(25)22(26)28/h1-3,5-7,9-13H,4,8,14-15H2,(H,24,27)
InChIKeyWZOOTWLCZLWOEK-UHFFFAOYSA-N
XLogP4.00
TPSA55.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide
CID 15994556
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46272890
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522632
5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide
CID 50763075
4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-phenylpropyl)butanamide
CID 50757024
5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-one
CID 57382073
N-(2,5-dimethylphenyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522619
5-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one
CID 22522580
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide
CID 46272869
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522650
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502441
N-[(4-chlorophenyl)methyl]-4-(9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)butanamide
CID 20893811

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide (CID 22522604) is N-[(4-chlorophenyl)methyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide is O=C(CCCn1c(=O)c2cccn2c2ccccc21)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The InChIKey is WZOOTWLCZLWOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c23-17-11-9-16(10-12-17)15-24-21(27)8-4-14-26-19-6-2-1-5-18(19)25-13-3-7-20(25)22(26)28/h1-3,5-7,9-13H,4,8,14-15H2,(H,24,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
N-[(4-chlorophenyl)methyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide has a molecular weight of 393.87 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide is sourced from PubChem (CID 22522604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).