N-butyl-2-fluoro-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide

C28H26FN3O3 — CID 42751934

IUPACN-butyl-2-fluoro-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide
SMILESCCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccco1)C(=O)c1ccccc1F
InChIInChI=1S/C28H26FN3O3/c1-2-3-16-30(28(34)20-10-4-5-11-21(20)29)19-26(33)32-23-13-7-6-12-22(23)31-17-8-14-24(31)27(32)25-15-9-18-35-25/h4-15,17-18,27H,2-3,16,19H2,1H3
InChIKeyQMIDBMXUVSDKPF-UHFFFAOYSA-N
MW471.53 g/mol
LogP5.59
Rot. Bonds7

About N-butyl-2-fluoro-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide

N-butyl-2-fluoro-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide (PubChem CID 42751934) has the molecular formula C28H26FN3O3 and a molecular weight of 471.53 g/mol. Its IUPAC name is N-butyl-2-fluoro-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-butyl-2-fluoro-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide
PubChem CID42751934
Molecular FormulaC28H26FN3O3
Molecular Weight471.53 g/mol
Exact Mass471.20
IUPAC NameN-butyl-2-fluoro-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide
SMILESCCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccco1)C(=O)c1ccccc1F
InChIInChI=1S/C28H26FN3O3/c1-2-3-16-30(28(34)20-10-4-5-11-21(20)29)19-26(33)32-23-13-7-6-12-22(23)31-17-8-14-24(31)27(32)25-15-9-18-35-25/h4-15,17-18,27H,2-3,16,19H2,1H3
InChIKeyQMIDBMXUVSDKPF-UHFFFAOYSA-N
XLogP5.59
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.53
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-butyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-nitrobenzamide
CID 42751918
3-(3-bromophenyl)-1-butyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 3458053
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
N-butyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]naphthalene-1-carboxamide
CID 42752109
N-butyl-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-methoxybenzamide
CID 4038873
N-butyl-4-chloro-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide
CID 5170715
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-butyl-N-[2-[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 4565084
N-butyl-N-[2-[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]butanamide
CID 5032360
N-butyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]pentanamide
CID 42752089

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-fluoro-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-butyl-2-fluoro-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide (CID 42751934) is N-butyl-2-fluoro-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-butyl-2-fluoro-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-butyl-2-fluoro-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide is CCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccco1)C(=O)c1ccccc1F.
What is the InChIKey of N-butyl-2-fluoro-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide?
The InChIKey is QMIDBMXUVSDKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O3/c1-2-3-16-30(28(34)20-10-4-5-11-21(20)29)19-26(33)32-23-13-7-6-12-22(23)31-17-8-14-24(31)27(32)25-15-9-18-35-25/h4-15,17-18,27H,2-3,16,19H2,1H3.
What are the key properties of N-butyl-2-fluoro-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide?
N-butyl-2-fluoro-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide has a molecular weight of 471.53 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-fluoro-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 42751934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).