N-[2-(furan-2-yl)ethyl]-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide

C25H30N4O4 — CID 46353612

IUPACN-[2-(furan-2-yl)ethyl]-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
SMILESO=C(CN1C(=O)C2CCCCN2c2ccc(C(=O)N3CCCC3)cc21)NCCc1ccco1
InChIInChI=1S/C25H30N4O4/c30-23(26-11-10-19-6-5-15-33-19)17-29-22-16-18(24(31)27-12-3-4-13-27)8-9-20(22)28-14-2-1-7-21(28)25(29)32/h5-6,8-9,15-16,21H,1-4,7,10-14,17H2,(H,26,30)
InChIKeyJKBKMAKUEWGUCV-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.58
Rot. Bonds6

About N-[2-(furan-2-yl)ethyl]-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide

N-[2-(furan-2-yl)ethyl]-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide (PubChem CID 46353612) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
PubChem CID46353612
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC NameN-[2-(furan-2-yl)ethyl]-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
SMILESO=C(CN1C(=O)C2CCCCN2c2ccc(C(=O)N3CCCC3)cc21)NCCc1ccco1
InChIInChI=1S/C25H30N4O4/c30-23(26-11-10-19-6-5-15-33-19)17-29-22-16-18(24(31)27-12-3-4-13-27)8-9-20(22)28-14-2-1-7-21(28)25(29)32/h5-6,8-9,15-16,21H,1-4,7,10-14,17H2,(H,26,30)
InChIKeyJKBKMAKUEWGUCV-UHFFFAOYSA-N
XLogP2.58
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6aS)-6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-propylacetamide
CID 92752153
2-[(6aR)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(3-phenylpropyl)acetamide
CID 93060147
2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-methoxyethyl)acetamide
CID 93060166
N-cyclooctyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 22578624
2-[(6aR)-6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-[(4-ethylphenyl)methyl]acetamide
CID 138857916
2-[(6aR)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 93060195
2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 53008416
2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 93060100
N-(3,5-dimethylphenyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 53030010
N-(3-methylphenyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 53088590
(6aS)-N,N-dimethyl-6-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 92752084
N-(3-chlorophenyl)-2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 53030036

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide (CID 46353612) is N-[2-(furan-2-yl)ethyl]-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide is O=C(CN1C(=O)C2CCCCN2c2ccc(C(=O)N3CCCC3)cc21)NCCc1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide?
The InChIKey is JKBKMAKUEWGUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c30-23(26-11-10-19-6-5-15-33-19)17-29-22-16-18(24(31)27-12-3-4-13-27)8-9-20(22)28-14-2-1-7-21(28)25(29)32/h5-6,8-9,15-16,21H,1-4,7,10-14,17H2,(H,26,30).
What are the key properties of N-[2-(furan-2-yl)ethyl]-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide?
N-[2-(furan-2-yl)ethyl]-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide has a molecular weight of 450.54 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide is sourced from PubChem (CID 46353612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).