N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-2,2-diphenylacetamide

C36H30ClN3O2 — CID 42751862

IUPACN-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-2,2-diphenylacetamide
SMILESO=C(C(c1ccccc1)c1ccccc1)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C36H30ClN3O2/c37-28-19-17-27(18-20-28)35-32-16-9-23-38(32)30-14-7-8-15-31(30)40(35)33(41)24-39(29-21-22-29)36(42)34(25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-20,23,29,34-35H,21-22,24H2
InChIKeyUPAMLXFQEDPLHL-UHFFFAOYSA-N
MW572.11 g/mol
LogP7.39
Rot. Bonds7

About N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-2,2-diphenylacetamide

N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-2,2-diphenylacetamide (PubChem CID 42751862) has the molecular formula C36H30ClN3O2 and a molecular weight of 572.11 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-2,2-diphenylacetamide
PubChem CID42751862
Molecular FormulaC36H30ClN3O2
Molecular Weight572.11 g/mol
Exact Mass571.20
IUPAC NameN-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-2,2-diphenylacetamide
SMILESO=C(C(c1ccccc1)c1ccccc1)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C36H30ClN3O2/c37-28-19-17-27(18-20-28)35-32-16-9-23-38(32)30-14-7-8-15-31(30)40(35)33(41)24-39(29-21-22-29)36(42)34(25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-20,23,29,34-35H,21-22,24H2
InChIKeyUPAMLXFQEDPLHL-UHFFFAOYSA-N
XLogP7.39
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.11
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2,2-diphenyl-N-propan-2-ylacetamide
CID 42751831
1-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-cyclopropyl-3-phenylurea
CID 42752473
N-cyclopropyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylbutanamide
CID 42752244
1-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-cyclopropyl-3-naphthalen-1-ylurea
CID 42659697
1-cyclopropyl-1-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 42752569
1-[2-[(4R)-4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-cyclopropyl-3-(4-nitrophenyl)urea
CID 98359578
N-cyclopropyl-2,2-dimethyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]propanamide
CID 42752122
N-cyclopropyl-2,2-dimethyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]propanamide
CID 42752221
3-(3-chlorophenyl)-1-cyclopropyl-1-[2-[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 3552542
1-cyclopropyl-3-(4-methylphenyl)-1-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 5212892
3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 42752587
N-cyclopropyl-4-ethyl-N-[2-oxo-2-[(4S)-4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide
CID 93097730

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-2,2-diphenylacetamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-2,2-diphenylacetamide (CID 42751862) is N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-2,2-diphenylacetamide is O=C(C(c1ccccc1)c1ccccc1)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-2,2-diphenylacetamide?
The InChIKey is UPAMLXFQEDPLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30ClN3O2/c37-28-19-17-27(18-20-28)35-32-16-9-23-38(32)30-14-7-8-15-31(30)40(35)33(41)24-39(29-21-22-29)36(42)34(25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-20,23,29,34-35H,21-22,24H2.
What are the key properties of N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-2,2-diphenylacetamide?
N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-2,2-diphenylacetamide has a molecular weight of 572.11 g/mol, XLogP of 7.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-2,2-diphenylacetamide is sourced from PubChem (CID 42751862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).