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

C23H27N3O2 — CID 22522632

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESO=C(CCCn1c(=O)c2cccn2c2ccccc21)NCCC1=CCCCC1
InChIInChI=1S/C23H27N3O2/c27-22(24-15-14-18-8-2-1-3-9-18)13-7-17-26-20-11-5-4-10-19(20)25-16-6-12-21(25)23(26)28/h4-6,8,10-12,16H,1-3,7,9,13-15,17H2,(H,24,27)
InChIKeyGWBLHYACYZJFDF-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.04
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide (PubChem CID 22522632) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
PubChem CID22522632
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESO=C(CCCn1c(=O)c2cccn2c2ccccc21)NCCC1=CCCCC1
InChIInChI=1S/C23H27N3O2/c27-22(24-15-14-18-8-2-1-3-9-18)13-7-17-26-20-11-5-4-10-19(20)25-16-6-12-21(25)23(26)28/h4-6,8,10-12,16H,1-3,7,9,13-15,17H2,(H,24,27)
InChIKeyGWBLHYACYZJFDF-UHFFFAOYSA-N
XLogP4.04
TPSA55.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4114746
4-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 22429951
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 46357381
4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-phenylpropyl)butanamide
CID 50757024
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 4277806
N-(2,5-dimethylphenyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522619
N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide
CID 110839487
N-(1,3-benzodioxol-5-ylmethyl)-5-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 46247393
N-[2-(cyclohexen-1-yl)ethyl]-2-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)propanamide
CID 22553474
2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 22522552
N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide
CID 109014685

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide (CID 22522632) is N-[2-(cyclohexen-1-yl)ethyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide is O=C(CCCn1c(=O)c2cccn2c2ccccc21)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The InChIKey is GWBLHYACYZJFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(24-15-14-18-8-2-1-3-9-18)13-7-17-26-20-11-5-4-10-19(20)25-16-6-12-21(25)23(26)28/h4-6,8,10-12,16H,1-3,7,9,13-15,17H2,(H,24,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide has a molecular weight of 377.49 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide is sourced from PubChem (CID 22522632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).