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

C24H21Cl2N3O2 — CID 3299667

IUPAC2-chloro-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropylacetamide
SMILESO=C(CCl)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C24H21Cl2N3O2/c25-14-22(30)28(18-11-12-18)15-23(31)29-20-5-2-1-4-19(20)27-13-3-6-21(27)24(29)16-7-9-17(26)10-8-16/h1-10,13,18,24H,11-12,14-15H2
InChIKeyPUOCXCCDBHUKQD-UHFFFAOYSA-N
MW454.36 g/mol
LogP4.80
Rot. Bonds5

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

2-chloro-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropylacetamide (PubChem CID 3299667) has the molecular formula C24H21Cl2N3O2 and a molecular weight of 454.36 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropylacetamide
PubChem CID3299667
Molecular FormulaC24H21Cl2N3O2
Molecular Weight454.36 g/mol
Exact Mass453.10
IUPAC Name2-chloro-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropylacetamide
SMILESO=C(CCl)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C24H21Cl2N3O2/c25-14-22(30)28(18-11-12-18)15-23(31)29-20-5-2-1-4-19(20)27-13-3-6-21(27)24(29)16-7-9-17(26)10-8-16/h1-10,13,18,24H,11-12,14-15H2
InChIKeyPUOCXCCDBHUKQD-UHFFFAOYSA-N
XLogP4.80
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.36
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropylacetamide?
The IUPAC name of 2-chloro-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropylacetamide (CID 3299667) is 2-chloro-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-chloro-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropylacetamide?
The canonical SMILES for 2-chloro-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropylacetamide is O=C(CCl)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-chloro-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropylacetamide?
The InChIKey is PUOCXCCDBHUKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O2/c25-14-22(30)28(18-11-12-18)15-23(31)29-20-5-2-1-4-19(20)27-13-3-6-21(27)24(29)16-7-9-17(26)10-8-16/h1-10,13,18,24H,11-12,14-15H2.
What are the key properties of 2-chloro-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropylacetamide?
2-chloro-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropylacetamide has a molecular weight of 454.36 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropylacetamide is sourced from PubChem (CID 3299667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).