7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[4-[cyclopropyl(hydroxy)methyl]pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide

C92H80F4N20O7 — CID 159152915

IUPAC7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[4-[cyclopropyl(hydroxy)methyl]pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide
SMILESCCC(C)(O)c1nnn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)n1.CCC(C)(O)c1nnnn1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(C(O)C4CC4)cn3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc4ccccc43)cc2n1
InChIInChI=1S/C24H21FN4O2.C24H17FN4O.2C22H21FN6O2/c25-18-6-4-15(5-7-18)20-10-22(24(26)31)28-21-9-14(1-8-19(20)21)12-29-13-17(11-27-29)23(30)16-2-3-16;25-17-8-6-16(7-9-17)19-12-22(24(26)30)28-21-11-15(5-10-18(19)21)13-29-14-27-20-3-1-2-4-23(20)29;1-3-22(2,31)21-26-27-28-29(21)12-13-4-9-16-17(14-5-7-15(23)8-6-14)11-19(20(24)30)25-18(16)10-13;1-3-22(2,31)21-26-28-29(27-21)12-13-4-9-16-17(14-5-7-15(23)8-6-14)11-19(20(24)30)25-18(16)10-13/h1,4-11,13,16,23,30H,2-3,12H2,(H2,26,31);1-12,14H,13H2,(H2,26,30);2*4-11,31H,3,12H2,1-2H3,(H2,24,30)
InChIKeyKJNKQAULPFGQGR-UHFFFAOYSA-N
MW1653.78 g/mol
LogP13.95
Rot. Bonds22

About 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[4-[cyclopropyl(hydroxy)methyl]pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide

7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[4-[cyclopropyl(hydroxy)methyl]pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide (PubChem CID 159152915) has the molecular formula C92H80F4N20O7 and a molecular weight of 1653.78 g/mol. Its IUPAC name is 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[4-[cyclopropyl(hydroxy)methyl]pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[4-[cyclopropyl(hydroxy)methyl]pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide
PubChem CID159152915
Molecular FormulaC92H80F4N20O7
Molecular Weight1653.78 g/mol
Exact Mass1652.65
IUPAC Name7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[4-[cyclopropyl(hydroxy)methyl]pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide
SMILESCCC(C)(O)c1nnn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)n1.CCC(C)(O)c1nnnn1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(C(O)C4CC4)cn3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc4ccccc43)cc2n1
InChIInChI=1S/C24H21FN4O2.C24H17FN4O.2C22H21FN6O2/c25-18-6-4-15(5-7-18)20-10-22(24(26)31)28-21-9-14(1-8-19(20)21)12-29-13-17(11-27-29)23(30)16-2-3-16;25-17-8-6-16(7-9-17)19-12-22(24(26)30)28-21-11-15(5-10-18(19)21)13-29-14-27-20-3-1-2-4-23(20)29;1-3-22(2,31)21-26-27-28-29(21)12-13-4-9-16-17(14-5-7-15(23)8-6-14)11-19(20(24)30)25-18(16)10-13;1-3-22(2,31)21-26-28-29(27-21)12-13-4-9-16-17(14-5-7-15(23)8-6-14)11-19(20(24)30)25-18(16)10-13/h1,4-11,13,16,23,30H,2-3,12H2,(H2,26,31);1-12,14H,13H2,(H2,26,30);2*4-11,31H,3,12H2,1-2H3,(H2,24,30)
InChIKeyKJNKQAULPFGQGR-UHFFFAOYSA-N
XLogP13.95
TPSA407.45 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms123
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001653.78
LogP ≤ 513.95
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[4-[cyclopropyl(hydroxy)methyl]pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[4-[cyclopropyl(hydroxy)methyl]pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[4-[cyclopropyl(hydroxy)methyl]pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide (CID 159152915) is 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[4-[cyclopropyl(hydroxy)methyl]pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[4-[cyclopropyl(hydroxy)methyl]pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[4-[cyclopropyl(hydroxy)methyl]pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide is CCC(C)(O)c1nnn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)n1.CCC(C)(O)c1nnnn1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(C(O)C4CC4)cn3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc4ccccc43)cc2n1.
What is the InChIKey of 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[4-[cyclopropyl(hydroxy)methyl]pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide?
The InChIKey is KJNKQAULPFGQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2.C24H17FN4O.2C22H21FN6O2/c25-18-6-4-15(5-7-18)20-10-22(24(26)31)28-21-9-14(1-8-19(20)21)12-29-13-17(11-27-29)23(30)16-2-3-16;25-17-8-6-16(7-9-17)19-12-22(24(26)30)28-21-11-15(5-10-18(19)21)13-29-14-27-20-3-1-2-4-23(20)29;1-3-22(2,31)21-26-27-28-29(21)12-13-4-9-16-17(14-5-7-15(23)8-6-14)11-19(20(24)30)25-18(16)10-13;1-3-22(2,31)21-26-28-29(27-21)12-13-4-9-16-17(14-5-7-15(23)8-6-14)11-19(20(24)30)25-18(16)10-13/h1,4-11,13,16,23,30H,2-3,12H2,(H2,26,31);1-12,14H,13H2,(H2,26,30);2*4-11,31H,3,12H2,1-2H3,(H2,24,30).
What are the key properties of 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[4-[cyclopropyl(hydroxy)methyl]pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide?
7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[4-[cyclopropyl(hydroxy)methyl]pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide has a molecular weight of 1653.78 g/mol, XLogP of 13.95, 22 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzimidazol-1-ylmethyl)-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[[4-[cyclopropyl(hydroxy)methyl]pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(2-hydroxybutan-2-yl)tetrazol-2-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 159152915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).