methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate

C23H21FN4O3 — CID 134362246

IUPACmethyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
SMILESCOC(=O)c1cc(N2CCOCC2)cc2c1nc(C)n2-c1ccnc2cccc(F)c12
InChIInChI=1S/C23H21FN4O3/c1-14-26-22-16(23(29)30-2)12-15(27-8-10-31-11-9-27)13-20(22)28(14)19-6-7-25-18-5-3-4-17(24)21(18)19/h3-7,12-13H,8-11H2,1-2H3
InChIKeyRQVUMXQKZJXMAZ-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.64
Rot. Bonds3

About methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate

methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate (PubChem CID 134362246) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
PubChem CID134362246
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Namemethyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
SMILESCOC(=O)c1cc(N2CCOCC2)cc2c1nc(C)n2-c1ccnc2cccc(F)c12
InChIInChI=1S/C23H21FN4O3/c1-14-26-22-16(23(29)30-2)12-15(27-8-10-31-11-9-27)13-20(22)28(14)19-6-7-25-18-5-3-4-17(24)21(18)19/h3-7,12-13H,8-11H2,1-2H3
InChIKeyRQVUMXQKZJXMAZ-UHFFFAOYSA-N
XLogP3.64
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

4-[3-(5-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371788
methyl 1-(5-chloro-8-fluoroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134362241
methyl 2-cyclopropyl-6-morpholin-4-yl-1-quinolin-4-ylbenzimidazole-4-carboxylate
CID 134361744
methyl 1-(8-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134364259
2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134361760
ethyl 6-bromo-1-(5-fluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylate
CID 134362820
methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134361831
1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362081
4-[2-methyl-3-(5-methylquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371818
1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362033
2-ethyl-1-(8-fluoroquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362182
[4-[7-carbamoyl-3-(5-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]-2-pyridinyl]carbamic acid
CID 134362546

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate?
The IUPAC name of methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate (CID 134362246) is methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate.
What is the SMILES notation for methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate?
The canonical SMILES for methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate is COC(=O)c1cc(N2CCOCC2)cc2c1nc(C)n2-c1ccnc2cccc(F)c12.
What is the InChIKey of methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate?
The InChIKey is RQVUMXQKZJXMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-14-26-22-16(23(29)30-2)12-15(27-8-10-31-11-9-27)13-20(22)28(14)19-6-7-25-18-5-3-4-17(24)21(18)19/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate?
methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate has a molecular weight of 420.44 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate is sourced from PubChem (CID 134362246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).