7,8-dichloro-4-phenylpyrrolo[1,2-a]quinoxaline-1-carbaldehyde

C18H10Cl2N2O — CID 10688566

IUPAC7,8-dichloro-4-phenylpyrrolo[1,2-a]quinoxaline-1-carbaldehyde
SMILESO=Cc1ccc2c(-c3ccccc3)nc3cc(Cl)c(Cl)cc3n12
InChIInChI=1S/C18H10Cl2N2O/c19-13-8-15-17(9-14(13)20)22-12(10-23)6-7-16(22)18(21-15)11-4-2-1-3-5-11/h1-10H
InChIKeyOYPGTKHDMAKJMI-UHFFFAOYSA-N
MW341.20 g/mol
LogP5.27
Rot. Bonds2

About 7,8-dichloro-4-phenylpyrrolo[1,2-a]quinoxaline-1-carbaldehyde

7,8-dichloro-4-phenylpyrrolo[1,2-a]quinoxaline-1-carbaldehyde (PubChem CID 10688566) has the molecular formula C18H10Cl2N2O and a molecular weight of 341.20 g/mol. Its IUPAC name is 7,8-dichloro-4-phenylpyrrolo[1,2-a]quinoxaline-1-carbaldehyde.

Molecular Properties

Compound Name7,8-dichloro-4-phenylpyrrolo[1,2-a]quinoxaline-1-carbaldehyde
PubChem CID10688566
Molecular FormulaC18H10Cl2N2O
Molecular Weight341.20 g/mol
Exact Mass340.02
IUPAC Name7,8-dichloro-4-phenylpyrrolo[1,2-a]quinoxaline-1-carbaldehyde
SMILESO=Cc1ccc2c(-c3ccccc3)nc3cc(Cl)c(Cl)cc3n12
InChIInChI=1S/C18H10Cl2N2O/c19-13-8-15-17(9-14(13)20)22-12(10-23)6-7-16(22)18(21-15)11-4-2-1-3-5-11/h1-10H
InChIKeyOYPGTKHDMAKJMI-UHFFFAOYSA-N
XLogP5.27
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.20
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine
CID 58524219
3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline
CID 21026465
8-chloro-2-phenylquinoline-3-carbaldehyde
CID 86701166
6,7-dichloro-2-[(2-chlorophenyl)methyl]-3-phenylquinoxaline
CID 139225987
4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 89112886
5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 84665767
1-phenylimidazo[1,5-a]pyridine-3-carbaldehyde
CID 112757352
2-[6-chloro-1-(hydroxymethyl)-5-(4-phenylphenyl)pyrrolo[3,2-b]pyridin-2-yl]sulfanylacetic acid
CID 118623022
6-chloro-3-(4-chlorophenyl)-2-phenylquinoxaline
CID 132520838
1-(benzenesulfonyl)-5,6-dichloro-2-(trifluoromethyl)benzimidazole
CID 154248512
3-amino-6,7-dichloro-1-phenylquinoxalin-2-one
CID 70577319
7-methyl-4-phenylpyrrolo[1,2-a]quinoxaline
CID 132523762

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-4-phenylpyrrolo[1,2-a]quinoxaline-1-carbaldehyde?
The IUPAC name of 7,8-dichloro-4-phenylpyrrolo[1,2-a]quinoxaline-1-carbaldehyde (CID 10688566) is 7,8-dichloro-4-phenylpyrrolo[1,2-a]quinoxaline-1-carbaldehyde.
What is the SMILES notation for 7,8-dichloro-4-phenylpyrrolo[1,2-a]quinoxaline-1-carbaldehyde?
The canonical SMILES for 7,8-dichloro-4-phenylpyrrolo[1,2-a]quinoxaline-1-carbaldehyde is O=Cc1ccc2c(-c3ccccc3)nc3cc(Cl)c(Cl)cc3n12.
What is the InChIKey of 7,8-dichloro-4-phenylpyrrolo[1,2-a]quinoxaline-1-carbaldehyde?
The InChIKey is OYPGTKHDMAKJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N2O/c19-13-8-15-17(9-14(13)20)22-12(10-23)6-7-16(22)18(21-15)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 7,8-dichloro-4-phenylpyrrolo[1,2-a]quinoxaline-1-carbaldehyde?
7,8-dichloro-4-phenylpyrrolo[1,2-a]quinoxaline-1-carbaldehyde has a molecular weight of 341.20 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-4-phenylpyrrolo[1,2-a]quinoxaline-1-carbaldehyde is sourced from PubChem (CID 10688566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).