6,7-dichloro-3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one

C19H18Cl2N2O2 — CID 162415488

IUPAC6,7-dichloro-3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one
SMILESCCC(c1ccc(OC)cc1)c1nc2cc(Cl)c(Cl)cc2n(C)c1=O
InChIInChI=1S/C19H18Cl2N2O2/c1-4-13(11-5-7-12(25-3)8-6-11)18-19(24)23(2)17-10-15(21)14(20)9-16(17)22-18/h5-10,13H,4H2,1-3H3
InChIKeyCPVZEUNLZBONHB-UHFFFAOYSA-N
MW377.27 g/mol
LogP4.79
Rot. Bonds4

About 6,7-dichloro-3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one

6,7-dichloro-3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one (PubChem CID 162415488) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 6,7-dichloro-3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one.

Molecular Properties

Compound Name6,7-dichloro-3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one
PubChem CID162415488
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name6,7-dichloro-3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one
SMILESCCC(c1ccc(OC)cc1)c1nc2cc(Cl)c(Cl)cc2n(C)c1=O
InChIInChI=1S/C19H18Cl2N2O2/c1-4-13(11-5-7-12(25-3)8-6-11)18-19(24)23(2)17-10-15(21)14(20)9-16(17)22-18/h5-10,13H,4H2,1-3H3
InChIKeyCPVZEUNLZBONHB-UHFFFAOYSA-N
XLogP4.79
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one?
The IUPAC name of 6,7-dichloro-3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one (CID 162415488) is 6,7-dichloro-3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one.
What is the SMILES notation for 6,7-dichloro-3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one?
The canonical SMILES for 6,7-dichloro-3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one is CCC(c1ccc(OC)cc1)c1nc2cc(Cl)c(Cl)cc2n(C)c1=O.
What is the InChIKey of 6,7-dichloro-3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one?
The InChIKey is CPVZEUNLZBONHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-4-13(11-5-7-12(25-3)8-6-11)18-19(24)23(2)17-10-15(21)14(20)9-16(17)22-18/h5-10,13H,4H2,1-3H3.
What are the key properties of 6,7-dichloro-3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one?
6,7-dichloro-3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one has a molecular weight of 377.27 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one is sourced from PubChem (CID 162415488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).