7-[(4-bromoimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazole-4-carboxylic acid;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;methyl 1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate;methyl 3-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate

C104H77BrF5N21O11 — CID 162060750

IUPAC7-[(4-bromoimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazole-4-carboxylic acid;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;methyl 1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate;methyl 3-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.COC(=O)c1cncn1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(C(=O)O)nn3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc(Br)c3)cc2n1
InChIInChI=1S/2C22H17FN4O3.C20H14BrFN4O.C20H14FN5O3.C20H15FN4O/c1-30-22(29)20-10-25-12-27(20)11-13-2-7-16-17(14-3-5-15(23)6-4-14)9-19(21(24)28)26-18(16)8-13;1-30-22(29)20-11-27(12-25-20)10-13-2-7-16-17(14-3-5-15(23)6-4-14)9-19(21(24)28)26-18(16)8-13;21-19-10-26(11-24-19)9-12-1-6-15-16(13-2-4-14(22)5-3-13)8-18(20(23)27)25-17(15)7-12;21-13-4-2-12(3-5-13)15-8-17(19(22)27)23-16-7-11(1-6-14(15)16)9-26-10-18(20(28)29)24-25-26;21-15-4-2-14(3-5-15)17-10-19(20(22)26)24-18-9-13(1-6-16(17)18)11-25-8-7-23-12-25/h2-10,12H,11H2,1H3,(H2,24,28);2-9,11-12H,10H2,1H3,(H2,24,28);1-8,10-11H,9H2,(H2,23,27);1-8,10H,9H2,(H2,22,27)(H,28,29);1-10,12H,11H2,(H2,22,26)
InChIKeyYZUPIXUJWCCDOX-UHFFFAOYSA-N
MW1971.79 g/mol
LogP16.35
Rot. Bonds23

About 7-[(4-bromoimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazole-4-carboxylic acid;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;methyl 1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate;methyl 3-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate

7-[(4-bromoimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazole-4-carboxylic acid;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;methyl 1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate;methyl 3-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate (PubChem CID 162060750) has the molecular formula C104H77BrF5N21O11 and a molecular weight of 1971.79 g/mol. Its IUPAC name is 7-[(4-bromoimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazole-4-carboxylic acid;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;methyl 1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate;methyl 3-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Name7-[(4-bromoimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazole-4-carboxylic acid;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;methyl 1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate;methyl 3-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate
PubChem CID162060750
Molecular FormulaC104H77BrF5N21O11
Molecular Weight1971.79 g/mol
Exact Mass1969.52
IUPAC Name7-[(4-bromoimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazole-4-carboxylic acid;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;methyl 1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate;methyl 3-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.COC(=O)c1cncn1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(C(=O)O)nn3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc(Br)c3)cc2n1
InChIInChI=1S/2C22H17FN4O3.C20H14BrFN4O.C20H14FN5O3.C20H15FN4O/c1-30-22(29)20-10-25-12-27(20)11-13-2-7-16-17(14-3-5-15(23)6-4-14)9-19(21(24)28)26-18(16)8-13;1-30-22(29)20-11-27(12-25-20)10-13-2-7-16-17(14-3-5-15(23)6-4-14)9-19(21(24)28)26-18(16)8-13;21-19-10-26(11-24-19)9-12-1-6-15-16(13-2-4-14(22)5-3-13)8-18(20(23)27)25-17(15)7-12;21-13-4-2-12(3-5-13)15-8-17(19(22)27)23-16-7-11(1-6-14(15)16)9-26-10-18(20(28)29)24-25-26;21-15-4-2-14(3-5-15)17-10-19(20(22)26)24-18-9-13(1-6-16(17)18)11-25-8-7-23-12-25/h2-10,12H,11H2,1H3,(H2,24,28);2-9,11-12H,10H2,1H3,(H2,24,28);1-8,10-11H,9H2,(H2,23,27);1-8,10H,9H2,(H2,22,27)(H,28,29);1-10,12H,11H2,(H2,22,26)
InChIKeyYZUPIXUJWCCDOX-UHFFFAOYSA-N
XLogP16.35
TPSA471.79 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001971.79
LogP ≤ 516.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 7-[(4-bromoimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazole-4-carboxylic acid;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;methyl 1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate;methyl 3-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-bromoimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazole-4-carboxylic acid;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;methyl 1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate;methyl 3-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate?
The IUPAC name of 7-[(4-bromoimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazole-4-carboxylic acid;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;methyl 1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate;methyl 3-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate (CID 162060750) is 7-[(4-bromoimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazole-4-carboxylic acid;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;methyl 1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate;methyl 3-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate.
What is the SMILES notation for 7-[(4-bromoimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazole-4-carboxylic acid;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;methyl 1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate;methyl 3-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate?
The canonical SMILES for 7-[(4-bromoimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazole-4-carboxylic acid;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;methyl 1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate;methyl 3-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate is COC(=O)c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.COC(=O)c1cncn1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(C(=O)O)nn3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc(Br)c3)cc2n1.
What is the InChIKey of 7-[(4-bromoimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazole-4-carboxylic acid;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;methyl 1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate;methyl 3-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate?
The InChIKey is YZUPIXUJWCCDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H17FN4O3.C20H14BrFN4O.C20H14FN5O3.C20H15FN4O/c1-30-22(29)20-10-25-12-27(20)11-13-2-7-16-17(14-3-5-15(23)6-4-14)9-19(21(24)28)26-18(16)8-13;1-30-22(29)20-11-27(12-25-20)10-13-2-7-16-17(14-3-5-15(23)6-4-14)9-19(21(24)28)26-18(16)8-13;21-19-10-26(11-24-19)9-12-1-6-15-16(13-2-4-14(22)5-3-13)8-18(20(23)27)25-17(15)7-12;21-13-4-2-12(3-5-13)15-8-17(19(22)27)23-16-7-11(1-6-14(15)16)9-26-10-18(20(28)29)24-25-26;21-15-4-2-14(3-5-15)17-10-19(20(22)26)24-18-9-13(1-6-16(17)18)11-25-8-7-23-12-25/h2-10,12H,11H2,1H3,(H2,24,28);2-9,11-12H,10H2,1H3,(H2,24,28);1-8,10-11H,9H2,(H2,23,27);1-8,10H,9H2,(H2,22,27)(H,28,29);1-10,12H,11H2,(H2,22,26).
What are the key properties of 7-[(4-bromoimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazole-4-carboxylic acid;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;methyl 1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate;methyl 3-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate?
7-[(4-bromoimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazole-4-carboxylic acid;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;methyl 1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate;methyl 3-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate has a molecular weight of 1971.79 g/mol, XLogP of 16.35, 23 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-bromoimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazole-4-carboxylic acid;4-(4-fluorophenyl)-7-(imidazol-1-ylmethyl)quinoline-2-carboxamide;methyl 1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate;methyl 3-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]imidazole-4-carboxylate is sourced from PubChem (CID 162060750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).