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

C21H24FN3O2 — CID 22522775

IUPACN-cyclohexyl-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESO=C(CCCn1c(=O)c2cccn2c2ccc(F)cc21)NC1CCCCC1
InChIInChI=1S/C21H24FN3O2/c22-15-10-11-17-19(14-15)25(21(27)18-8-4-12-24(17)18)13-5-9-20(26)23-16-6-2-1-3-7-16/h4,8,10-12,14,16H,1-3,5-7,9,13H2,(H,23,26)
InChIKeyCSIYPCGZTDXOPC-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.62
Rot. Bonds5

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

N-cyclohexyl-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide (PubChem CID 22522775) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-cyclohexyl-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
PubChem CID22522775
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-cyclohexyl-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESO=C(CCCn1c(=O)c2cccn2c2ccc(F)cc21)NC1CCCCC1
InChIInChI=1S/C21H24FN3O2/c22-15-10-11-17-19(14-15)25(21(27)18-8-4-12-24(17)18)13-5-9-20(26)23-16-6-2-1-3-7-16/h4,8,10-12,14,16H,1-3,5-7,9,13H2,(H,23,26)
InChIKeyCSIYPCGZTDXOPC-UHFFFAOYSA-N
XLogP3.62
TPSA55.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide
CID 92872084
2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-methylcyclohexyl)acetamide
CID 22522689
N-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272806
7-fluoro-5-(3-oxo-3-piperidin-1-ylpropyl)pyrrolo[1,2-a]quinoxalin-4-one
CID 162504811
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46272890
N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272842
5-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclohexylpentanamide
CID 50742858
3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(furan-2-ylmethyl)propanamide
CID 46272762
7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one
CID 163944623
N-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 3235637
2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 22522714
N-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide
CID 6619275

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The IUPAC name of N-cyclohexyl-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide (CID 22522775) is N-cyclohexyl-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide.
What is the SMILES notation for N-cyclohexyl-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The canonical SMILES for N-cyclohexyl-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide is O=C(CCCn1c(=O)c2cccn2c2ccc(F)cc21)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The InChIKey is CSIYPCGZTDXOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-15-10-11-17-19(14-15)25(21(27)18-8-4-12-24(17)18)13-5-9-20(26)23-16-6-2-1-3-7-16/h4,8,10-12,14,16H,1-3,5-7,9,13H2,(H,23,26).
What are the key properties of N-cyclohexyl-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
N-cyclohexyl-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide has a molecular weight of 369.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide is sourced from PubChem (CID 22522775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).