N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide

C29H29N3O3 — CID 42751894

IUPACN-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide
SMILESCC(C)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccco1)C(=O)CCc1ccccc1
InChIInChI=1S/C29H29N3O3/c1-21(2)31(27(33)17-16-22-10-4-3-5-11-22)20-28(34)32-24-13-7-6-12-23(24)30-18-8-14-25(30)29(32)26-15-9-19-35-26/h3-15,18-19,21,29H,16-17,20H2,1-2H3
InChIKeyOCKDACAQMIURCH-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.38
Rot. Bonds7

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

N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide (PubChem CID 42751894) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide
PubChem CID42751894
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC NameN-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide
SMILESCC(C)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccco1)C(=O)CCc1ccccc1
InChIInChI=1S/C29H29N3O3/c1-21(2)31(27(33)17-16-22-10-4-3-5-11-22)20-28(34)32-24-13-7-6-12-23(24)30-18-8-14-25(30)29(32)26-15-9-19-35-26/h3-15,18-19,21,29H,16-17,20H2,1-2H3
InChIKeyOCKDACAQMIURCH-UHFFFAOYSA-N
XLogP5.38
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-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
N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 42659564
N-cyclopropyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylmethoxyacetamide
CID 42751989
3-benzyl-1-butyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 42752513
1-cyclopropyl-3-ethyl-1-[2-[(4R)-4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 7356492
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-[2-[(4S)-4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylsulfanyl-N-propan-2-ylacetamide
CID 93098094
N-butyl-2-fluoro-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide
CID 42751934
N-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylmethoxy-N-propan-2-ylacetamide
CID 5227067

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide?
The IUPAC name of N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide (CID 42751894) is N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide is CC(C)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccco1)C(=O)CCc1ccccc1.
What is the InChIKey of N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide?
The InChIKey is OCKDACAQMIURCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c1-21(2)31(27(33)17-16-22-10-4-3-5-11-22)20-28(34)32-24-13-7-6-12-23(24)30-18-8-14-25(30)29(32)26-15-9-19-35-26/h3-15,18-19,21,29H,16-17,20H2,1-2H3.
What are the key properties of N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide?
N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide has a molecular weight of 467.57 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 42751894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).