N-butyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3,5-dimethoxybenzamide

C30H31N3O5 — CID 42659505

IUPACN-butyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3,5-dimethoxybenzamide
SMILESCCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccco1)C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C30H31N3O5/c1-4-5-14-31(30(35)21-17-22(36-2)19-23(18-21)37-3)20-28(34)33-25-11-7-6-10-24(25)32-15-8-12-26(32)29(33)27-13-9-16-38-27/h6-13,15-19,29H,4-5,14,20H2,1-3H3
InChIKeyWEVVXBVOBHUVBV-UHFFFAOYSA-N
MW513.59 g/mol
LogP5.47
Rot. Bonds9

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

N-butyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3,5-dimethoxybenzamide (PubChem CID 42659505) has the molecular formula C30H31N3O5 and a molecular weight of 513.59 g/mol. Its IUPAC name is N-butyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-butyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3,5-dimethoxybenzamide
PubChem CID42659505
Molecular FormulaC30H31N3O5
Molecular Weight513.59 g/mol
Exact Mass513.23
IUPAC NameN-butyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3,5-dimethoxybenzamide
SMILESCCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccco1)C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C30H31N3O5/c1-4-5-14-31(30(35)21-17-22(36-2)19-23(18-21)37-3)20-28(34)33-25-11-7-6-10-24(25)32-15-8-12-26(32)29(33)27-13-9-16-38-27/h6-13,15-19,29H,4-5,14,20H2,1-3H3
InChIKeyWEVVXBVOBHUVBV-UHFFFAOYSA-N
XLogP5.47
TPSA77.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.59
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-nitrobenzamide
CID 42751918
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-2-fluoro-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide
CID 42751934
3-benzyl-1-butyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 42752513
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-butyl-N-[2-[4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-nitrobenzamide
CID 5026962
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
N-butyl-4-chloro-N-[2-[4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-nitrobenzamide
CID 5000452
N-butyl-4-chloro-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide
CID 5170715
N-butyl-N-[2-[4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]tetradecanamide
CID 4240063
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]-2,4-dimethoxybenzamide
CID 3684497

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-butyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3,5-dimethoxybenzamide (CID 42659505) is N-butyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-butyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-butyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3,5-dimethoxybenzamide is CCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccco1)C(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of N-butyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3,5-dimethoxybenzamide?
The InChIKey is WEVVXBVOBHUVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O5/c1-4-5-14-31(30(35)21-17-22(36-2)19-23(18-21)37-3)20-28(34)33-25-11-7-6-10-24(25)32-15-8-12-26(32)29(33)27-13-9-16-38-27/h6-13,15-19,29H,4-5,14,20H2,1-3H3.
What are the key properties of N-butyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3,5-dimethoxybenzamide?
N-butyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3,5-dimethoxybenzamide has a molecular weight of 513.59 g/mol, XLogP of 5.47, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 42659505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).