4-(2,6-difluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;bis(7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(4-methoxy-3-methylphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide

C125H113F5N18O10 — CID 160867983

IUPAC4-(2,6-difluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;bis(7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(4-methoxy-3-methylphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
SMILESCOc1cc(F)c(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)c(F)c1.COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4ccc(CF)nc4)ccc23)cc1.COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4ccc(CF)nc4)ccc23)cc1.COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)cc1C.COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)cc1F
InChIInChI=1S/2C26H24FN3O2.C25H24N4O2.C24H20F2N4O2.C24H21FN4O2/c2*1-16(11-17-3-7-20(14-27)29-15-17)19-6-10-22-23(18-4-8-21(32-2)9-5-18)13-25(26(28)31)30-24(22)12-19;1-15-10-19(7-9-24(15)31-3)21-12-23(25(26)30)29-22-11-17(6-8-20(21)22)4-5-18-13-27-16(2)28-14-18;1-13-28-11-15(12-29-13)4-3-14-5-6-17-18(10-22(24(27)31)30-21(17)7-14)23-19(25)8-16(32-2)9-20(23)26;1-14-27-12-16(13-28-14)4-3-15-5-7-18-19(11-22(24(26)30)29-21(18)9-15)17-6-8-23(31-2)20(25)10-17/h2*3-10,12-13,15-16H,11,14H2,1-2H3,(H2,28,31);6-14H,4-5H2,1-3H3,(H2,26,30);5-12H,3-4H2,1-2H3,(H2,27,31);5-13H,3-4H2,1-2H3,(H2,26,30)
InChIKeySLJOTHSRGPGBPZ-UHFFFAOYSA-N
MW2122.38 g/mol
LogP22.84
Rot. Bonds32

About 4-(2,6-difluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;bis(7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(4-methoxy-3-methylphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide

4-(2,6-difluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;bis(7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(4-methoxy-3-methylphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide (PubChem CID 160867983) has the molecular formula C125H113F5N18O10 and a molecular weight of 2122.38 g/mol. Its IUPAC name is 4-(2,6-difluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;bis(7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(4-methoxy-3-methylphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(2,6-difluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;bis(7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(4-methoxy-3-methylphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
PubChem CID160867983
Molecular FormulaC125H113F5N18O10
Molecular Weight2122.38 g/mol
Exact Mass2120.88
IUPAC Name4-(2,6-difluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;bis(7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(4-methoxy-3-methylphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
SMILESCOc1cc(F)c(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)c(F)c1.COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4ccc(CF)nc4)ccc23)cc1.COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4ccc(CF)nc4)ccc23)cc1.COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)cc1C.COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)cc1F
InChIInChI=1S/2C26H24FN3O2.C25H24N4O2.C24H20F2N4O2.C24H21FN4O2/c2*1-16(11-17-3-7-20(14-27)29-15-17)19-6-10-22-23(18-4-8-21(32-2)9-5-18)13-25(26(28)31)30-24(22)12-19;1-15-10-19(7-9-24(15)31-3)21-12-23(25(26)30)29-22-11-17(6-8-20(21)22)4-5-18-13-27-16(2)28-14-18;1-13-28-11-15(12-29-13)4-3-14-5-6-17-18(10-22(24(27)31)30-21(17)7-14)23-19(25)8-16(32-2)9-20(23)26;1-14-27-12-16(13-28-14)4-3-15-5-7-18-19(11-22(24(26)30)29-21(18)9-15)17-6-8-23(31-2)20(25)10-17/h2*3-10,12-13,15-16H,11,14H2,1-2H3,(H2,28,31);6-14H,4-5H2,1-3H3,(H2,26,30);5-12H,3-4H2,1-2H3,(H2,27,31);5-13H,3-4H2,1-2H3,(H2,26,30)
InChIKeySLJOTHSRGPGBPZ-UHFFFAOYSA-N
XLogP22.84
TPSA429.17 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds32
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002122.38
LogP ≤ 522.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 4-(2,6-difluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;bis(7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(4-methoxy-3-methylphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide with MolForge

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Related Compounds

4-(4-Methoxyphenyl)-7-(2-(2-methylpyrimidin-5-yl)ethyl)quinoline-2-carboxamide
CID 89554797
4-(3-Fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
CID 89554872
4-(2-Fluoro-4-methoxyphenyl)-7-(2-(2-methylpyrimidin-5-yl)ethyl)quinoline-2-carboxamide
CID 89554892
US8653087, III-562
CID 68036210
US8653087, III-554
CID 46181821
US8653087, III-556
CID 68036384
US8653087, III-557
CID 68036385
4-(2-Fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide
CID 71565966
7-(1-(2-Aminopyridin-3-yl)propan-2-yl)-4-(4-methoxyphenyl)quinoline-2-carboxamide
CID 71566048
7-[1-(2-Amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide
CID 71566126
4-(2,6-Difluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
CID 89554866
4-(4-Methoxy-3-methylphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
CID 89554867

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;bis(7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(4-methoxy-3-methylphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide?
The IUPAC name of 4-(2,6-difluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;bis(7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(4-methoxy-3-methylphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide (CID 160867983) is 4-(2,6-difluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;bis(7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(4-methoxy-3-methylphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-(2,6-difluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;bis(7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(4-methoxy-3-methylphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide?
The canonical SMILES for 4-(2,6-difluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;bis(7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(4-methoxy-3-methylphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide is COc1cc(F)c(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)c(F)c1.COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4ccc(CF)nc4)ccc23)cc1.COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4ccc(CF)nc4)ccc23)cc1.COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)cc1C.COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)cc1F.
What is the InChIKey of 4-(2,6-difluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;bis(7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(4-methoxy-3-methylphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide?
The InChIKey is SLJOTHSRGPGBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H24FN3O2.C25H24N4O2.C24H20F2N4O2.C24H21FN4O2/c2*1-16(11-17-3-7-20(14-27)29-15-17)19-6-10-22-23(18-4-8-21(32-2)9-5-18)13-25(26(28)31)30-24(22)12-19;1-15-10-19(7-9-24(15)31-3)21-12-23(25(26)30)29-22-11-17(6-8-20(21)22)4-5-18-13-27-16(2)28-14-18;1-13-28-11-15(12-29-13)4-3-14-5-6-17-18(10-22(24(27)31)30-21(17)7-14)23-19(25)8-16(32-2)9-20(23)26;1-14-27-12-16(13-28-14)4-3-15-5-7-18-19(11-22(24(26)30)29-21(18)9-15)17-6-8-23(31-2)20(25)10-17/h2*3-10,12-13,15-16H,11,14H2,1-2H3,(H2,28,31);6-14H,4-5H2,1-3H3,(H2,26,30);5-12H,3-4H2,1-2H3,(H2,27,31);5-13H,3-4H2,1-2H3,(H2,26,30).
What are the key properties of 4-(2,6-difluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;bis(7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(4-methoxy-3-methylphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide?
4-(2,6-difluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;bis(7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(4-methoxy-3-methylphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide has a molecular weight of 2122.38 g/mol, XLogP of 22.84, 32 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide;bis(7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(4-methoxy-3-methylphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 160867983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).