1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-propan-2-ylurea

C28H28N4O4 — CID 42752499

IUPAC1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-propan-2-ylurea
SMILESCOc1cccc(NC(=O)N(CC(=O)N2c3ccccc3-n3cccc3C2c2ccco2)C(C)C)c1
InChIInChI=1S/C28H28N4O4/c1-19(2)31(28(34)29-20-9-6-10-21(17-20)35-3)18-26(33)32-23-12-5-4-11-22(23)30-15-7-13-24(30)27(32)25-14-8-16-36-25/h4-17,19,27H,18H2,1-3H3,(H,29,34)
InChIKeyORQNJJFJWGLJMN-UHFFFAOYSA-N
MW484.56 g/mol
LogP5.46
Rot. Bonds6

About 1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-propan-2-ylurea

1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-propan-2-ylurea (PubChem CID 42752499) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-propan-2-ylurea
PubChem CID42752499
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-propan-2-ylurea
SMILESCOc1cccc(NC(=O)N(CC(=O)N2c3ccccc3-n3cccc3C2c2ccco2)C(C)C)c1
InChIInChI=1S/C28H28N4O4/c1-19(2)31(28(34)29-20-9-6-10-21(17-20)35-3)18-26(33)32-23-12-5-4-11-22(23)30-15-7-13-24(30)27(32)25-14-8-16-36-25/h4-17,19,27H,18H2,1-3H3,(H,29,34)
InChIKeyORQNJJFJWGLJMN-UHFFFAOYSA-N
XLogP5.46
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-propan-2-ylurea with MolForge

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Related Compounds

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-butyl-3-(2,4-dimethoxyphenyl)-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 42752517
ethyl 4-[[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate
CID 42751905
3-(3-bromophenyl)-1-butyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 3458053
N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide
CID 42751894
N-butyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 42659505
1-[2-[4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]urea
CID 42752546
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-(3-chlorophenyl)-1-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-ylurea
CID 5136542
3-benzyl-1-[2-[4-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-ylurea
CID 3547510
1-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenyl-1-propan-2-ylurea
CID 3969778
1-[2-[4-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-yl-3-[2-(trifluoromethyl)phenyl]urea
CID 4312927

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-propan-2-ylurea?
The IUPAC name of 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) is 1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-propan-2-ylurea.
What is the SMILES notation for 1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-propan-2-ylurea?
The canonical SMILES for 1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-propan-2-ylurea is COc1cccc(NC(=O)N(CC(=O)N2c3ccccc3-n3cccc3C2c2ccco2)C(C)C)c1.
What is the InChIKey of 1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-propan-2-ylurea?
The InChIKey is ORQNJJFJWGLJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-19(2)31(28(34)29-20-9-6-10-21(17-20)35-3)18-26(33)32-23-12-5-4-11-22(23)30-15-7-13-24(30)27(32)25-14-8-16-36-25/h4-17,19,27H,18H2,1-3H3,(H,29,34).
What are the key properties of 1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-propan-2-ylurea?
1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-propan-2-ylurea has a molecular weight of 484.56 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(3-methoxyphenyl)-1-propan-2-ylurea is sourced from PubChem (CID 42752499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).