4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide

C24H31FN4O2 — CID 92872084

IUPAC4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide
SMILESC[C@H]1CCCCN1CCCNC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21
InChIInChI=1S/C24H31FN4O2/c1-18-7-2-3-13-27(18)14-6-12-26-23(30)9-5-16-29-22-17-19(25)10-11-20(22)28-15-4-8-21(28)24(29)31/h4,8,10-11,15,17-18H,2-3,5-7,9,12-14,16H2,1H3,(H,26,30)/t18-/m0/s1
InChIKeyQNSYFYVCQBFALM-SFHVURJKSA-N
MW426.54 g/mol
LogP3.55
Rot. Bonds8

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

4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide (PubChem CID 92872084) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide.

Molecular Properties

Compound Name4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide
PubChem CID92872084
Molecular FormulaC24H31FN4O2
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC Name4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide
SMILESC[C@H]1CCCCN1CCCNC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21
InChIInChI=1S/C24H31FN4O2/c1-18-7-2-3-13-27(18)14-6-12-26-23(30)9-5-16-29-22-17-19(25)10-11-20(22)28-15-4-8-21(28)24(29)31/h4,8,10-11,15,17-18H,2-3,5-7,9,12-14,16H2,1H3,(H,26,30)/t18-/m0/s1
InChIKeyQNSYFYVCQBFALM-SFHVURJKSA-N
XLogP3.55
TPSA58.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522775
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-propan-2-ylbutanamide
CID 46272812
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide
CID 46272869
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46272890
N-[2-(4-ethoxyphenyl)ethyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272868
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522650
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
CID 51221562
7-fluoro-5-(3-oxo-3-piperidin-1-ylpropyl)pyrrolo[1,2-a]quinoxalin-4-one
CID 162504811
N-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272806
N-[3-(2-methylpiperidin-1-yl)propyl]-3-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]benzamide
CID 46328131
2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 9472975
4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-phenylpropyl)butanamide
CID 50757024

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide?
The IUPAC name of 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide (CID 92872084) is 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide.
What is the SMILES notation for 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide?
The canonical SMILES for 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide is C[C@H]1CCCCN1CCCNC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21.
What is the InChIKey of 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide?
The InChIKey is QNSYFYVCQBFALM-SFHVURJKSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-18-7-2-3-13-27(18)14-6-12-26-23(30)9-5-16-29-22-17-19(25)10-11-20(22)28-15-4-8-21(28)24(29)31/h4,8,10-11,15,17-18H,2-3,5-7,9,12-14,16H2,1H3,(H,26,30)/t18-/m0/s1.
What are the key properties of 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide?
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide has a molecular weight of 426.54 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide is sourced from PubChem (CID 92872084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).