6-[4-(2,4-difluorophenyl)-2-methylimidazol-1-yl]-8-methyl-1H-quinolin-2-one

C20H15F2N3O — CID 70418029

IUPAC6-[4-(2,4-difluorophenyl)-2-methylimidazol-1-yl]-8-methyl-1H-quinolin-2-one
SMILESCc1cc(-n2cc(-c3ccc(F)cc3F)nc2C)cc2ccc(=O)[nH]c12
InChIInChI=1S/C20H15F2N3O/c1-11-7-15(8-13-3-6-19(26)24-20(11)13)25-10-18(23-12(25)2)16-5-4-14(21)9-17(16)22/h3-10H,1-2H3,(H,24,26)
InChIKeyMPZPFMLMHMDPMV-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.28
Rot. Bonds2

About 6-[4-(2,4-difluorophenyl)-2-methylimidazol-1-yl]-8-methyl-1H-quinolin-2-one

6-[4-(2,4-difluorophenyl)-2-methylimidazol-1-yl]-8-methyl-1H-quinolin-2-one (PubChem CID 70418029) has the molecular formula C20H15F2N3O and a molecular weight of 351.36 g/mol. Its IUPAC name is 6-[4-(2,4-difluorophenyl)-2-methylimidazol-1-yl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(2,4-difluorophenyl)-2-methylimidazol-1-yl]-8-methyl-1H-quinolin-2-one
PubChem CID70418029
Molecular FormulaC20H15F2N3O
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name6-[4-(2,4-difluorophenyl)-2-methylimidazol-1-yl]-8-methyl-1H-quinolin-2-one
SMILESCc1cc(-n2cc(-c3ccc(F)cc3F)nc2C)cc2ccc(=O)[nH]c12
InChIInChI=1S/C20H15F2N3O/c1-11-7-15(8-13-3-6-19(26)24-20(11)13)25-10-18(23-12(25)2)16-5-4-14(21)9-17(16)22/h3-10H,1-2H3,(H,24,26)
InChIKeyMPZPFMLMHMDPMV-UHFFFAOYSA-N
XLogP4.28
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,4-difluorophenyl)-2-methylimidazol-1-yl]-8-methyl-1H-quinolin-2-one?
The IUPAC name of 6-[4-(2,4-difluorophenyl)-2-methylimidazol-1-yl]-8-methyl-1H-quinolin-2-one (CID 70418029) is 6-[4-(2,4-difluorophenyl)-2-methylimidazol-1-yl]-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(2,4-difluorophenyl)-2-methylimidazol-1-yl]-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(2,4-difluorophenyl)-2-methylimidazol-1-yl]-8-methyl-1H-quinolin-2-one is Cc1cc(-n2cc(-c3ccc(F)cc3F)nc2C)cc2ccc(=O)[nH]c12.
What is the InChIKey of 6-[4-(2,4-difluorophenyl)-2-methylimidazol-1-yl]-8-methyl-1H-quinolin-2-one?
The InChIKey is MPZPFMLMHMDPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O/c1-11-7-15(8-13-3-6-19(26)24-20(11)13)25-10-18(23-12(25)2)16-5-4-14(21)9-17(16)22/h3-10H,1-2H3,(H,24,26).
What are the key properties of 6-[4-(2,4-difluorophenyl)-2-methylimidazol-1-yl]-8-methyl-1H-quinolin-2-one?
6-[4-(2,4-difluorophenyl)-2-methylimidazol-1-yl]-8-methyl-1H-quinolin-2-one has a molecular weight of 351.36 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,4-difluorophenyl)-2-methylimidazol-1-yl]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 70418029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).