7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)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-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide

C133H105ClF4N26O8 — CID 159925866

IUPAC7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)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-(pyrimidin-5-ylmethyl)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.Cn1cc(-c2cc(C#N)nc3cc(Cc4cnc(C5CC5)nc4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(C5CC5)nc4)ccc23)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccnc(CO)c3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cncnc3)cc2n1
InChIInChI=1S/C23H17ClFN3O2.C23H18FN3O2.C22H17FN4O2.C22H20N6O.C22H18N6.C21H15FN4O/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;24-17-4-2-16(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;1-29-22-25-11-14(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;1-28-12-16(11-26-28)18-8-20(21(23)29)27-19-7-13(2-5-17(18)19)6-14-9-24-22(25-10-14)15-3-4-15;1-28-13-17(12-26-28)20-8-18(9-23)27-21-7-14(2-5-19(20)21)6-15-10-24-22(25-11-15)16-3-4-16;22-16-4-2-15(3-5-16)18-9-20(21(23)27)26-19-8-13(1-6-17(18)19)7-14-10-24-12-25-11-14/h2-9,11-12H,10H2,1H3,(H2,26,29);1-8,10-12,28H,9,13H2,(H2,25,29);2-7,9-12H,8H2,1H3,(H2,24,28);2,5,7-12,15H,3-4,6H2,1H3,(H2,23,29);2,5,7-8,10-13,16H,3-4,6H2,1H3;1-6,8-12H,7H2,(H2,23,27)
InChIKeyNYZSWFHFHCSADS-UHFFFAOYSA-N
MW2306.92 g/mol
LogP22.21
Rot. Bonds28

About 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)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-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide

7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)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-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide (PubChem CID 159925866) has the molecular formula C133H105ClF4N26O8 and a molecular weight of 2306.92 g/mol. Its IUPAC name is 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)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-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)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-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide
PubChem CID159925866
Molecular FormulaC133H105ClF4N26O8
Molecular Weight2306.92 g/mol
Exact Mass2304.82
IUPAC Name7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)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-(pyrimidin-5-ylmethyl)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.Cn1cc(-c2cc(C#N)nc3cc(Cc4cnc(C5CC5)nc4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(C5CC5)nc4)ccc23)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccnc(CO)c3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cncnc3)cc2n1
InChIInChI=1S/C23H17ClFN3O2.C23H18FN3O2.C22H17FN4O2.C22H20N6O.C22H18N6.C21H15FN4O/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;24-17-4-2-16(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;1-29-22-25-11-14(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;1-28-12-16(11-26-28)18-8-20(21(23)29)27-19-7-13(2-5-17(18)19)6-14-9-24-22(25-10-14)15-3-4-15;1-28-13-17(12-26-28)20-8-18(9-23)27-21-7-14(2-5-19(20)21)6-15-10-24-22(25-11-15)16-3-4-16;22-16-4-2-15(3-5-16)18-9-20(21(23)27)26-19-8-13(1-6-17(18)19)7-14-10-24-12-25-11-14/h2-9,11-12H,10H2,1H3,(H2,26,29);1-8,10-12,28H,9,13H2,(H2,25,29);2-7,9-12H,8H2,1H3,(H2,24,28);2,5,7-12,15H,3-4,6H2,1H3,(H2,23,29);2,5,7-8,10-13,16H,3-4,6H2,1H3;1-6,8-12H,7H2,(H2,23,27)
InChIKeyNYZSWFHFHCSADS-UHFFFAOYSA-N
XLogP22.21
TPSA519.81 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms172
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002306.92
LogP ≤ 522.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)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-(pyrimidin-5-ylmethyl)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-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)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-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide?
The IUPAC name of 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)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-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide (CID 159925866) is 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)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-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)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-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide?
The canonical SMILES for 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)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-(pyrimidin-5-ylmethyl)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.Cn1cc(-c2cc(C#N)nc3cc(Cc4cnc(C5CC5)nc4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(C5CC5)nc4)ccc23)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccnc(CO)c3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cncnc3)cc2n1.
What is the InChIKey of 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)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-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide?
The InChIKey is NYZSWFHFHCSADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O2.C23H18FN3O2.C22H17FN4O2.C22H20N6O.C22H18N6.C21H15FN4O/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;24-17-4-2-16(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;1-29-22-25-11-14(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;1-28-12-16(11-26-28)18-8-20(21(23)29)27-19-7-13(2-5-17(18)19)6-14-9-24-22(25-10-14)15-3-4-15;1-28-13-17(12-26-28)20-8-18(9-23)27-21-7-14(2-5-19(20)21)6-15-10-24-22(25-11-15)16-3-4-16;22-16-4-2-15(3-5-16)18-9-20(21(23)27)26-19-8-13(1-6-17(18)19)7-14-10-24-12-25-11-14/h2-9,11-12H,10H2,1H3,(H2,26,29);1-8,10-12,28H,9,13H2,(H2,25,29);2-7,9-12H,8H2,1H3,(H2,24,28);2,5,7-12,15H,3-4,6H2,1H3,(H2,23,29);2,5,7-8,10-13,16H,3-4,6H2,1H3;1-6,8-12H,7H2,(H2,23,27).
What are the key properties of 7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)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-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide?
7-[(3-chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)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-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide has a molecular weight of 2306.92 g/mol, XLogP of 22.21, 28 rotatable bonds, 6 hydrogen bond donors, and 29 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-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)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-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide is sourced from PubChem (CID 159925866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).