7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide

C114H85ClF5N17O8 — CID 158776651

IUPAC7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide
SMILESCOc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.COc1nccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)c1Cl.Cc1ccncc1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.N#Cc1ccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccnc(CO)c3)cc2n1
InChIInChI=1S/C23H17ClFN3O2.C23H15FN4O.C23H18FN3O2.C23H18FN3O.C22H17FN4O2/c1-30-23-21(24)15(8-9-27-23)10-13-2-7-17-18(14-3-5-16(25)6-4-14)12-20(22(26)29)28-19(17)11-13;24-17-5-3-16(4-6-17)20-11-22(23(26)29)28-21-10-14(2-8-19(20)21)9-15-1-7-18(12-25)27-13-15;24-17-4-2-16(3-5-17)20-12-22(23(25)29)27-21-11-14(1-6-19(20)21)9-15-7-8-26-18(10-15)13-28;1-14-8-9-26-13-17(14)10-15-2-7-19-20(16-3-5-18(24)6-4-16)12-22(23(25)28)27-21(19)11-15;1-29-22-25-11-14(12-26-22)8-13-2-7-17-18(15-3-5-16(23)6-4-15)10-20(21(24)28)27-19(17)9-13/h2-9,11-12H,10H2,1H3,(H2,26,29);1-8,10-11,13H,9H2,(H2,26,29);1-8,10-12,28H,9,13H2,(H2,25,29);2-9,11-13H,10H2,1H3,(H2,25,28);2-7,9-12H,8H2,1H3,(H2,24,28)
InChIKeyIQNZGYUCJDTQCR-UHFFFAOYSA-N
MW1951.49 g/mol
LogP20.37
Rot. Bonds23

About 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide

7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide (PubChem CID 158776651) has the molecular formula C114H85ClF5N17O8 and a molecular weight of 1951.49 g/mol. Its IUPAC name is 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide
PubChem CID158776651
Molecular FormulaC114H85ClF5N17O8
Molecular Weight1951.49 g/mol
Exact Mass1949.64
IUPAC Name7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide
SMILESCOc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.COc1nccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)c1Cl.Cc1ccncc1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.N#Cc1ccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccnc(CO)c3)cc2n1
InChIInChI=1S/C23H17ClFN3O2.C23H15FN4O.C23H18FN3O2.C23H18FN3O.C22H17FN4O2/c1-30-23-21(24)15(8-9-27-23)10-13-2-7-17-18(14-3-5-16(25)6-4-14)12-20(22(26)29)28-19(17)11-13;24-17-5-3-16(4-6-17)20-11-22(23(26)29)28-21-10-14(2-8-19(20)21)9-15-1-7-18(12-25)27-13-15;24-17-4-2-16(3-5-17)20-12-22(23(25)29)27-21-11-14(1-6-19(20)21)9-15-7-8-26-18(10-15)13-28;1-14-8-9-26-13-17(14)10-15-2-7-19-20(16-3-5-18(24)6-4-16)12-22(23(25)28)27-21(19)11-15;1-29-22-25-11-14(12-26-22)8-13-2-7-17-18(15-3-5-16(23)6-4-15)10-20(21(24)28)27-19(17)9-13/h2-9,11-12H,10H2,1H3,(H2,26,29);1-8,10-11,13H,9H2,(H2,26,29);1-8,10-12,28H,9,13H2,(H2,25,29);2-9,11-13H,10H2,1H3,(H2,25,28);2-7,9-12H,8H2,1H3,(H2,24,28)
InChIKeyIQNZGYUCJDTQCR-UHFFFAOYSA-N
XLogP20.37
TPSA419.72 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms145
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001951.49
LogP ≤ 520.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide?
The IUPAC name of 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide (CID 158776651) is 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide?
The canonical SMILES for 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide is COc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.COc1nccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)c1Cl.Cc1ccncc1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.N#Cc1ccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccnc(CO)c3)cc2n1.
What is the InChIKey of 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide?
The InChIKey is IQNZGYUCJDTQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O2.C23H15FN4O.C23H18FN3O2.C23H18FN3O.C22H17FN4O2/c1-30-23-21(24)15(8-9-27-23)10-13-2-7-17-18(14-3-5-16(25)6-4-14)12-20(22(26)29)28-19(17)11-13;24-17-5-3-16(4-6-17)20-11-22(23(26)29)28-21-10-14(2-8-19(20)21)9-15-1-7-18(12-25)27-13-15;24-17-4-2-16(3-5-17)20-12-22(23(25)29)27-21-11-14(1-6-19(20)21)9-15-7-8-26-18(10-15)13-28;1-14-8-9-26-13-17(14)10-15-2-7-19-20(16-3-5-18(24)6-4-16)12-22(23(25)28)27-21(19)11-15;1-29-22-25-11-14(12-26-22)8-13-2-7-17-18(15-3-5-16(23)6-4-15)10-20(21(24)28)27-19(17)9-13/h2-9,11-12H,10H2,1H3,(H2,26,29);1-8,10-11,13H,9H2,(H2,26,29);1-8,10-12,28H,9,13H2,(H2,25,29);2-9,11-13H,10H2,1H3,(H2,25,28);2-7,9-12H,8H2,1H3,(H2,24,28).
What are the key properties of 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide?
7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide has a molecular weight of 1951.49 g/mol, XLogP of 20.37, 23 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 158776651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).