N-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide

C30H28ClN3O2 — CID 42659645

IUPACN-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(CC(=O)N2c3ccccc3-n3cccc3C2c2cccc(Cl)c2)C(C)C)cc1
InChIInChI=1S/C30H28ClN3O2/c1-20(2)33(30(36)22-15-13-21(3)14-16-22)19-28(35)34-26-11-5-4-10-25(26)32-17-7-12-27(32)29(34)23-8-6-9-24(31)18-23/h4-18,20,29H,19H2,1-3H3
InChIKeyUGXUKOWWMISTGO-UHFFFAOYSA-N
MW498.03 g/mol
LogP6.43
Rot. Bonds5

About N-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide

N-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide (PubChem CID 42659645) has the molecular formula C30H28ClN3O2 and a molecular weight of 498.03 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
PubChem CID42659645
Molecular FormulaC30H28ClN3O2
Molecular Weight498.03 g/mol
Exact Mass497.19
IUPAC NameN-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(CC(=O)N2c3ccccc3-n3cccc3C2c2cccc(Cl)c2)C(C)C)cc1
InChIInChI=1S/C30H28ClN3O2/c1-20(2)33(30(36)22-15-13-21(3)14-16-22)19-28(35)34-26-11-5-4-10-25(26)32-17-7-12-27(32)29(34)23-8-6-9-24(31)18-23/h4-18,20,29H,19H2,1-3H3
InChIKeyUGXUKOWWMISTGO-UHFFFAOYSA-N
XLogP6.43
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.03
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-nitro-N-propan-2-ylbenzamide
CID 3479903
3-(3-chlorophenyl)-1-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-propan-2-ylurea
CID 5136542
N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-nitro-N-propan-2-ylbenzamide
CID 42752166
1-[2-[(4R)-4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-naphthalen-1-yl-1-propan-2-ylurea
CID 98425838
N-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylmethoxy-N-propan-2-ylacetamide
CID 5227067
3,5-dichloro-N-[2-[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 42659606
N-[2-[(4R)-4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-nitro-N-propan-2-ylbenzamide
CID 98229530
4-methyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-nitro-N-propan-2-ylbenzamide
CID 42659571
3-methyl-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylbutanamide
CID 42752395
1-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenyl-1-propan-2-ylurea
CID 3969778
N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 42659564
1-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-(propan-2-ylamino)ethanone
CID 3943334

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide (CID 42659645) is N-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide is Cc1ccc(C(=O)N(CC(=O)N2c3ccccc3-n3cccc3C2c2cccc(Cl)c2)C(C)C)cc1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide?
The InChIKey is UGXUKOWWMISTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN3O2/c1-20(2)33(30(36)22-15-13-21(3)14-16-22)19-28(35)34-26-11-5-4-10-25(26)32-17-7-12-27(32)29(34)23-8-6-9-24(31)18-23/h4-18,20,29H,19H2,1-3H3.
What are the key properties of N-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide?
N-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide has a molecular weight of 498.03 g/mol, XLogP of 6.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 42659645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).