5-chloro-6-[2-(5-chloro-3-oxo-4H-quinoxalin-2-yl)propyl]-3-propan-2-yl-1H-quinoxalin-2-one

C22H20Cl2N4O2 — CID 134186020

IUPAC5-chloro-6-[2-(5-chloro-3-oxo-4H-quinoxalin-2-yl)propyl]-3-propan-2-yl-1H-quinoxalin-2-one
SMILESCC(C)c1nc2c(Cl)c(CC(C)c3nc4cccc(Cl)c4[nH]c3=O)ccc2[nH]c1=O
InChIInChI=1S/C22H20Cl2N4O2/c1-10(2)17-21(29)26-15-8-7-12(16(24)20(15)27-17)9-11(3)18-22(30)28-19-13(23)5-4-6-14(19)25-18/h4-8,10-11H,9H2,1-3H3,(H,26,29)(H,28,30)
InChIKeyBKNYEBCASIKPNL-UHFFFAOYSA-N
MW443.33 g/mol
LogP4.94
Rot. Bonds4

About 5-chloro-6-[2-(5-chloro-3-oxo-4H-quinoxalin-2-yl)propyl]-3-propan-2-yl-1H-quinoxalin-2-one

5-chloro-6-[2-(5-chloro-3-oxo-4H-quinoxalin-2-yl)propyl]-3-propan-2-yl-1H-quinoxalin-2-one (PubChem CID 134186020) has the molecular formula C22H20Cl2N4O2 and a molecular weight of 443.33 g/mol. Its IUPAC name is 5-chloro-6-[2-(5-chloro-3-oxo-4H-quinoxalin-2-yl)propyl]-3-propan-2-yl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name5-chloro-6-[2-(5-chloro-3-oxo-4H-quinoxalin-2-yl)propyl]-3-propan-2-yl-1H-quinoxalin-2-one
PubChem CID134186020
Molecular FormulaC22H20Cl2N4O2
Molecular Weight443.33 g/mol
Exact Mass442.10
IUPAC Name5-chloro-6-[2-(5-chloro-3-oxo-4H-quinoxalin-2-yl)propyl]-3-propan-2-yl-1H-quinoxalin-2-one
SMILESCC(C)c1nc2c(Cl)c(CC(C)c3nc4cccc(Cl)c4[nH]c3=O)ccc2[nH]c1=O
InChIInChI=1S/C22H20Cl2N4O2/c1-10(2)17-21(29)26-15-8-7-12(16(24)20(15)27-17)9-11(3)18-22(30)28-19-13(23)5-4-6-14(19)25-18/h4-8,10-11H,9H2,1-3H3,(H,26,29)(H,28,30)
InChIKeyBKNYEBCASIKPNL-UHFFFAOYSA-N
XLogP4.94
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-[2-(5-chloro-3-oxo-4H-quinoxalin-2-yl)propyl]-3-propan-2-yl-1H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-3-propan-2-yl-1H-quinoxalin-2-one
CID 10944074
8-chloro-3-[(propan-2-ylamino)methyl]-1H-quinolin-2-one
CID 84634088
3-chlorobenzene-1,2-diamine;5-chloro-3-methyl-1H-quinoxalin-2-one;8-chloro-3-methyl-1H-quinoxalin-2-one;ethyl 2-oxopropanoate
CID 157304874
CID 162524598
CID 162524598
(2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542564
3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid
CID 83868022
2-(3-oxo-4H-quinoxalin-2-yl)butanoate
CID 57348314
4-chloro-2-pentan-2-yl-1H-benzimidazole
CID 60978644
5-chloro-3-propan-2-yl-1H-quinolin-2-one
CID 138581131
2-amino-3-(8-chloro-2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84640250
N-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide
CID 53199759
8-methyl-1,4-dihydropyrazino[2,3-f]quinoxaline-2,3-dione
CID 72723870

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[2-(5-chloro-3-oxo-4H-quinoxalin-2-yl)propyl]-3-propan-2-yl-1H-quinoxalin-2-one?
The IUPAC name of 5-chloro-6-[2-(5-chloro-3-oxo-4H-quinoxalin-2-yl)propyl]-3-propan-2-yl-1H-quinoxalin-2-one (CID 134186020) is 5-chloro-6-[2-(5-chloro-3-oxo-4H-quinoxalin-2-yl)propyl]-3-propan-2-yl-1H-quinoxalin-2-one.
What is the SMILES notation for 5-chloro-6-[2-(5-chloro-3-oxo-4H-quinoxalin-2-yl)propyl]-3-propan-2-yl-1H-quinoxalin-2-one?
The canonical SMILES for 5-chloro-6-[2-(5-chloro-3-oxo-4H-quinoxalin-2-yl)propyl]-3-propan-2-yl-1H-quinoxalin-2-one is CC(C)c1nc2c(Cl)c(CC(C)c3nc4cccc(Cl)c4[nH]c3=O)ccc2[nH]c1=O.
What is the InChIKey of 5-chloro-6-[2-(5-chloro-3-oxo-4H-quinoxalin-2-yl)propyl]-3-propan-2-yl-1H-quinoxalin-2-one?
The InChIKey is BKNYEBCASIKPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O2/c1-10(2)17-21(29)26-15-8-7-12(16(24)20(15)27-17)9-11(3)18-22(30)28-19-13(23)5-4-6-14(19)25-18/h4-8,10-11H,9H2,1-3H3,(H,26,29)(H,28,30).
What are the key properties of 5-chloro-6-[2-(5-chloro-3-oxo-4H-quinoxalin-2-yl)propyl]-3-propan-2-yl-1H-quinoxalin-2-one?
5-chloro-6-[2-(5-chloro-3-oxo-4H-quinoxalin-2-yl)propyl]-3-propan-2-yl-1H-quinoxalin-2-one has a molecular weight of 443.33 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[2-(5-chloro-3-oxo-4H-quinoxalin-2-yl)propyl]-3-propan-2-yl-1H-quinoxalin-2-one is sourced from PubChem (CID 134186020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).