ethyl 4-[[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate

C26H29N3O5 — CID 42751905

IUPACethyl 4-[[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccco1)C(C)C
InChIInChI=1S/C26H29N3O5/c1-4-33-25(32)14-13-23(30)28(18(2)3)17-24(31)29-20-10-6-5-9-19(20)27-15-7-11-21(27)26(29)22-12-8-16-34-22/h5-12,15-16,18,26H,4,13-14,17H2,1-3H3
InChIKeyPBBYQQOJHHOXMB-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.09
Rot. Bonds8

About ethyl 4-[[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate

ethyl 4-[[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate (PubChem CID 42751905) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is ethyl 4-[[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate
PubChem CID42751905
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Nameethyl 4-[[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccco1)C(C)C
InChIInChI=1S/C26H29N3O5/c1-4-33-25(32)14-13-23(30)28(18(2)3)17-24(31)29-20-10-6-5-9-19(20)27-15-7-11-21(27)26(29)22-12-8-16-34-22/h5-12,15-16,18,26H,4,13-14,17H2,1-3H3
InChIKeyPBBYQQOJHHOXMB-UHFFFAOYSA-N
XLogP4.09
TPSA84.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate with MolForge

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Related Compounds

N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide
CID 42751894
3-cyclopentyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 42659478
3-(2-ethylphenyl)-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-ylurea
CID 42752505
1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-propan-2-ylurea
CID 42752498
1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-propan-2-ylurea
CID 42752499
1-cyclopropyl-3-ethyl-1-[2-[(4R)-4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 7356492
N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 42659564
1-cyclopropyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2-methylphenyl)urea
CID 4988462
N-cyclopropyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylmethoxyacetamide
CID 42751989
N-butyl-2-fluoro-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide
CID 42751934
N-butyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 42659505
3-benzyl-1-butyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 42752513

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate (CID 42751905) is ethyl 4-[[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccco1)C(C)C.
What is the InChIKey of ethyl 4-[[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate?
The InChIKey is PBBYQQOJHHOXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-4-33-25(32)14-13-23(30)28(18(2)3)17-24(31)29-20-10-6-5-9-19(20)27-15-7-11-21(27)26(29)22-12-8-16-34-22/h5-12,15-16,18,26H,4,13-14,17H2,1-3H3.
What are the key properties of ethyl 4-[[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate?
ethyl 4-[[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate has a molecular weight of 463.53 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate is sourced from PubChem (CID 42751905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).