N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide

C22H19ClFN3O3 — CID 46272842

IUPACN-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)cc1Cl
InChIInChI=1S/C22H19ClFN3O3/c1-30-20-9-7-15(13-16(20)23)25-21(28)5-3-11-27-19-12-14(24)6-8-17(19)26-10-2-4-18(26)22(27)29/h2,4,6-10,12-13H,3,5,11H2,1H3,(H,25,28)
InChIKeyYIFVXCKCBXFVDP-UHFFFAOYSA-N
MW427.86 g/mol
LogP4.47
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide

N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide (PubChem CID 46272842) has the molecular formula C22H19ClFN3O3 and a molecular weight of 427.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
PubChem CID46272842
Molecular FormulaC22H19ClFN3O3
Molecular Weight427.86 g/mol
Exact Mass427.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)cc1Cl
InChIInChI=1S/C22H19ClFN3O3/c1-30-20-9-7-15(13-16(20)23)25-21(28)5-3-11-27-19-12-14(24)6-8-17(19)26-10-2-4-18(26)22(27)29/h2,4,6-10,12-13H,3,5,11H2,1H3,(H,25,28)
InChIKeyYIFVXCKCBXFVDP-UHFFFAOYSA-N
XLogP4.47
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.86
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[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

N-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272806
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46272890
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-methoxy-3-pyridinyl)propanamide
CID 166897811
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide
CID 46272869
4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-ethoxyphenyl)butanamide
CID 46272917
N-(3-chloro-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 18292823
N-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4905483
N-(3-chloro-4-methoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7580962
N-(3-chloro-4-methoxyphenyl)-4-[7-(4-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
CID 50795805
N-(3-chloro-4-methoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47779782
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide (CID 46272842) is N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide is COc1ccc(NC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The InChIKey is YIFVXCKCBXFVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O3/c1-30-20-9-7-15(13-16(20)23)25-21(28)5-3-11-27-19-12-14(24)6-8-17(19)26-10-2-4-18(26)22(27)29/h2,4,6-10,12-13H,3,5,11H2,1H3,(H,25,28).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide has a molecular weight of 427.86 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide is sourced from PubChem (CID 46272842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).