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-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carbonitrile

C93H74F4N14O4 — CID 158661076

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;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carbonitrile
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cnc(C)nc4)ccc23)c(F)c1.N#Cc1cc(-c2ccc(F)cc2)c2ccc(CCc3cncnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccccn3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccncc3)cc2n1
InChIInChI=1S/C25H23FN4O2.2C23H18FN3O.C22H15FN4/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;23-18-6-4-17(5-7-18)21-10-19(11-24)27-22-9-15(3-8-20(21)22)1-2-16-12-25-14-26-13-16/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);3-10,12-14H,1-2H2
InChIKeyICTORBOIOPOUDP-UHFFFAOYSA-N
MW1527.70 g/mol
LogP17.72
Rot. Bonds20

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-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carbonitrile

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-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carbonitrile (PubChem CID 158661076) has the molecular formula C93H74F4N14O4 and a molecular weight of 1527.70 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;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carbonitrile.

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;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carbonitrile
PubChem CID158661076
Molecular FormulaC93H74F4N14O4
Molecular Weight1527.70 g/mol
Exact Mass1526.60
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;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carbonitrile
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cnc(C)nc4)ccc23)c(F)c1.N#Cc1cc(-c2ccc(F)cc2)c2ccc(CCc3cncnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccccn3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccncc3)cc2n1
InChIInChI=1S/C25H23FN4O2.2C23H18FN3O.C22H15FN4/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;23-18-6-4-17(5-7-18)21-10-19(11-24)27-22-9-15(3-8-20(21)22)1-2-16-12-25-14-26-13-16/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);3-10,12-14H,1-2H2
InChIKeyICTORBOIOPOUDP-UHFFFAOYSA-N
XLogP17.72
TPSA291.19 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001527.70
LogP ≤ 517.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carbonitrile 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
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
4-(4-Methoxy-2,6-dimethylphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
CID 89554876
4-(3,5-Difluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
CID 89554900
7-[2-(2-Cyanopyrimidin-5-yl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide
CID 89554981
7-(2-(4-Aminopyrimidin-5-yl)ethyl)-4-(4-methoxyphenyl)quinoline-2-carboxamide
CID 89554982

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;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carbonitrile?
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;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carbonitrile (CID 158661076) 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;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carbonitrile.
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;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carbonitrile?
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;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carbonitrile is COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cnc(C)nc4)ccc23)c(F)c1.N#Cc1cc(-c2ccc(F)cc2)c2ccc(CCc3cncnc3)cc2n1.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;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carbonitrile?
The InChIKey is ICTORBOIOPOUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2.2C23H18FN3O.C22H15FN4/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;23-18-6-4-17(5-7-18)21-10-19(11-24)27-22-9-15(3-8-20(21)22)1-2-16-12-25-14-26-13-16/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);3-10,12-14H,1-2H2.
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-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carbonitrile?
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-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carbonitrile has a molecular weight of 1527.70 g/mol, XLogP of 17.72, 20 rotatable bonds, 3 hydrogen bond donors, and 15 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;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carbonitrile is sourced from PubChem (CID 158661076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).