4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide

C87H71F3N16O7 — CID 159282861

IUPAC4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
SMILESCOc1ccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cc1.COc1ccc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)cn1.COc1cncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)c1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(F)nc4)ccc23)cn1
InChIInChI=1S/C24H19FN2O2.C23H18FN3O2.C21H19N5O2.C19H15FN6O/c1-29-19-9-2-15(3-10-19)12-16-4-11-20-21(17-5-7-18(25)8-6-17)14-23(24(26)28)27-22(20)13-16;1-29-18-9-15(12-26-13-18)8-14-2-7-19-20(16-3-5-17(24)6-4-16)11-22(23(25)28)27-21(19)10-14;1-26-12-15(11-24-26)17-9-19(21(22)27)25-18-8-13(3-5-16(17)18)7-14-4-6-20(28-2)23-10-14;1-26-10-13(9-24-26)15-6-17(18(21)27)25-16-5-11(2-3-14(15)16)4-12-7-22-19(20)23-8-12/h2-11,13-14H,12H2,1H3,(H2,26,28);2-7,9-13H,8H2,1H3,(H2,25,28);3-6,8-12H,7H2,1-2H3,(H2,22,27);2-3,5-10H,4H2,1H3,(H2,21,27)
InChIKeyKZDJIKKHVLRWPF-UHFFFAOYSA-N
MW1509.62 g/mol
LogP13.86
Rot. Bonds19

About 4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide

4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide (PubChem CID 159282861) has the molecular formula C87H71F3N16O7 and a molecular weight of 1509.62 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
PubChem CID159282861
Molecular FormulaC87H71F3N16O7
Molecular Weight1509.62 g/mol
Exact Mass1508.56
IUPAC Name4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
SMILESCOc1ccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cc1.COc1ccc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)cn1.COc1cncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)c1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(F)nc4)ccc23)cn1
InChIInChI=1S/C24H19FN2O2.C23H18FN3O2.C21H19N5O2.C19H15FN6O/c1-29-19-9-2-15(3-10-19)12-16-4-11-20-21(17-5-7-18(25)8-6-17)14-23(24(26)28)27-22(20)13-16;1-29-18-9-15(12-26-13-18)8-14-2-7-19-20(16-3-5-17(24)6-4-16)11-22(23(25)28)27-21(19)10-14;1-26-12-15(11-24-26)17-9-19(21(22)27)25-18-8-13(3-5-16(17)18)7-14-4-6-20(28-2)23-10-14;1-26-10-13(9-24-26)15-6-17(18(21)27)25-16-5-11(2-3-14(15)16)4-12-7-22-19(20)23-8-12/h2-11,13-14H,12H2,1H3,(H2,26,28);2-7,9-13H,8H2,1H3,(H2,25,28);3-6,8-12H,7H2,1-2H3,(H2,22,27);2-3,5-10H,4H2,1H3,(H2,21,27)
InChIKeyKZDJIKKHVLRWPF-UHFFFAOYSA-N
XLogP13.86
TPSA338.81 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms113
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001509.62
LogP ≤ 513.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide (CID 159282861) is 4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide is COc1ccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cc1.COc1ccc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)cn1.COc1cncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)c1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(F)nc4)ccc23)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The InChIKey is KZDJIKKHVLRWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2.C23H18FN3O2.C21H19N5O2.C19H15FN6O/c1-29-19-9-2-15(3-10-19)12-16-4-11-20-21(17-5-7-18(25)8-6-17)14-23(24(26)28)27-22(20)13-16;1-29-18-9-15(12-26-13-18)8-14-2-7-19-20(16-3-5-17(24)6-4-16)11-22(23(25)28)27-21(19)10-14;1-26-12-15(11-24-26)17-9-19(21(22)27)25-18-8-13(3-5-16(17)18)7-14-4-6-20(28-2)23-10-14;1-26-10-13(9-24-26)15-6-17(18(21)27)25-16-5-11(2-3-14(15)16)4-12-7-22-19(20)23-8-12/h2-11,13-14H,12H2,1H3,(H2,26,28);2-7,9-13H,8H2,1H3,(H2,25,28);3-6,8-12H,7H2,1-2H3,(H2,22,27);2-3,5-10H,4H2,1H3,(H2,21,27).
What are the key properties of 4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide has a molecular weight of 1509.62 g/mol, XLogP of 13.86, 19 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(5-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide;7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide is sourced from PubChem (CID 159282861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).