6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate

C24H15FN3O2- — CID 91930963

IUPAC6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate
SMILESCc1c(-n2cnc3c(-c4ccccc4)cccc32)nc2ccc(F)cc2c1C(=O)[O-]
InChIInChI=1S/C24H16FN3O2/c1-14-21(24(29)30)18-12-16(25)10-11-19(18)27-23(14)28-13-26-22-17(8-5-9-20(22)28)15-6-3-2-4-7-15/h2-13H,1H3,(H,29,30)/p-1
InChIKeyHHIMQANMRANSEY-UHFFFAOYSA-M
MW396.40 g/mol
LogP4.05
Rot. Bonds3

About 6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate

6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate (PubChem CID 91930963) has the molecular formula C24H15FN3O2- and a molecular weight of 396.40 g/mol. Its IUPAC name is 6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate
PubChem CID91930963
Molecular FormulaC24H15FN3O2-
Molecular Weight396.40 g/mol
Exact Mass396.12
IUPAC Name6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate
SMILESCc1c(-n2cnc3c(-c4ccccc4)cccc32)nc2ccc(F)cc2c1C(=O)[O-]
InChIInChI=1S/C24H16FN3O2/c1-14-21(24(29)30)18-12-16(25)10-11-19(18)27-23(14)28-13-26-22-17(8-5-9-20(22)28)15-6-3-2-4-7-15/h2-13H,1H3,(H,29,30)/p-1
InChIKeyHHIMQANMRANSEY-UHFFFAOYSA-M
XLogP4.05
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate?
The IUPAC name of 6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate (CID 91930963) is 6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate.
What is the SMILES notation for 6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate?
The canonical SMILES for 6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate is Cc1c(-n2cnc3c(-c4ccccc4)cccc32)nc2ccc(F)cc2c1C(=O)[O-].
What is the InChIKey of 6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate?
The InChIKey is HHIMQANMRANSEY-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H16FN3O2/c1-14-21(24(29)30)18-12-16(25)10-11-19(18)27-23(14)28-13-26-22-17(8-5-9-20(22)28)15-6-3-2-4-7-15/h2-13H,1H3,(H,29,30)/p-1.
What are the key properties of 6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate?
6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate has a molecular weight of 396.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate is sourced from PubChem (CID 91930963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).