4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-2-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-4-ylethyl)quinoline-2-carboxamide

C71H59F3N10O4 — CID 159955182

IUPAC4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-2-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-4-ylethyl)quinoline-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cnc(C)nc4)ccc23)c(F)c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccccn3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccncc3)cc2n1
InChIInChI=1S/C25H23FN4O2.2C23H18FN3O/c1-14(8-16-12-28-15(2)29-13-16)17-4-6-20-21(11-24(25(27)31)30-23(20)9-17)19-7-5-18(32-3)10-22(19)26;24-18-6-4-17(5-7-18)20-14-22(23(25)28)27-21-13-16(3-8-19(20)21)2-1-15-9-11-26-12-10-15;24-17-8-6-16(7-9-17)20-14-22(23(25)28)27-21-13-15(5-11-19(20)21)4-10-18-3-1-2-12-26-18/h4-7,9-14H,8H2,1-3H3,(H2,27,31);3-14H,1-2H2,(H2,25,28);1-3,5-9,11-14H,4,10H2,(H2,25,28)
InChIKeyOCPWCTSIEIKGJZ-UHFFFAOYSA-N
MW1173.31 g/mol
LogP13.23
Rot. Bonds16

About 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-2-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-4-ylethyl)quinoline-2-carboxamide

4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-2-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-4-ylethyl)quinoline-2-carboxamide (PubChem CID 159955182) has the molecular formula C71H59F3N10O4 and a molecular weight of 1173.31 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-2-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-4-ylethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-2-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-4-ylethyl)quinoline-2-carboxamide
PubChem CID159955182
Molecular FormulaC71H59F3N10O4
Molecular Weight1173.31 g/mol
Exact Mass1172.47
IUPAC Name4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-2-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-4-ylethyl)quinoline-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cnc(C)nc4)ccc23)c(F)c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccccn3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccncc3)cc2n1
InChIInChI=1S/C25H23FN4O2.2C23H18FN3O/c1-14(8-16-12-28-15(2)29-13-16)17-4-6-20-21(11-24(25(27)31)30-23(20)9-17)19-7-5-18(32-3)10-22(19)26;24-18-6-4-17(5-7-18)20-14-22(23(25)28)27-21-13-16(3-8-19(20)21)2-1-15-9-11-26-12-10-15;24-17-8-6-16(7-9-17)20-14-22(23(25)28)27-21-13-15(5-11-19(20)21)4-10-18-3-1-2-12-26-18/h4-7,9-14H,8H2,1-3H3,(H2,27,31);3-14H,1-2H2,(H2,25,28);1-3,5-9,11-14H,4,10H2,(H2,25,28)
InChIKeyOCPWCTSIEIKGJZ-UHFFFAOYSA-N
XLogP13.23
TPSA228.73 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001173.31
LogP ≤ 513.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-2-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-4-ylethyl)quinoline-2-carboxamide with MolForge

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Related Compounds

(4-(2-Fluorophenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
CID 54580295
(4-(2-Fluoro-4-methylphenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
CID 54583296
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-413
CID 68036201
US8653087, III-562
CID 68036210
US8653087, III-599
CID 68036429
[2-(4-Methoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4606144
(4-(3-Fluorophenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
CID 54580263
(4-(4-Fluorophenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
CID 54583260
(5-(4-Methoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(quinolin-6-yl)piperazin-1-yl)methanone
CID 54584255

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-2-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-4-ylethyl)quinoline-2-carboxamide?
The IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-2-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-4-ylethyl)quinoline-2-carboxamide (CID 159955182) is 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-2-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-4-ylethyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-2-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-4-ylethyl)quinoline-2-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-2-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-4-ylethyl)quinoline-2-carboxamide is COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cnc(C)nc4)ccc23)c(F)c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccccn3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccncc3)cc2n1.
What is the InChIKey of 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-2-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-4-ylethyl)quinoline-2-carboxamide?
The InChIKey is OCPWCTSIEIKGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2.2C23H18FN3O/c1-14(8-16-12-28-15(2)29-13-16)17-4-6-20-21(11-24(25(27)31)30-23(20)9-17)19-7-5-18(32-3)10-22(19)26;24-18-6-4-17(5-7-18)20-14-22(23(25)28)27-21-13-16(3-8-19(20)21)2-1-15-9-11-26-12-10-15;24-17-8-6-16(7-9-17)20-14-22(23(25)28)27-21-13-15(5-11-19(20)21)4-10-18-3-1-2-12-26-18/h4-7,9-14H,8H2,1-3H3,(H2,27,31);3-14H,1-2H2,(H2,25,28);1-3,5-9,11-14H,4,10H2,(H2,25,28).
What are the key properties of 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-2-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-4-ylethyl)quinoline-2-carboxamide?
4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-2-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-4-ylethyl)quinoline-2-carboxamide has a molecular weight of 1173.31 g/mol, XLogP of 13.23, 16 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-2-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyridin-4-ylethyl)quinoline-2-carboxamide is sourced from PubChem (CID 159955182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).