bis(4-(4-fluorophenyl)-7-(1-hydroxy-2-pyridin-3-ylethyl)quinoline-2-carboxamide);4-(4-fluorophenyl)-7-(2-pyridin-3-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carboxamide

C91H71F4N13O6 — CID 159281528

IUPACbis(4-(4-fluorophenyl)-7-(1-hydroxy-2-pyridin-3-ylethyl)quinoline-2-carboxamide);4-(4-fluorophenyl)-7-(2-pyridin-3-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(O)Cc3cccnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(O)Cc3cccnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3cccnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3cncnc3)cc2n1
InChIInChI=1S/2C23H18FN3O2.C23H18FN3O.C22H17FN4O/c2*24-17-6-3-15(4-7-17)19-12-21(23(25)29)27-20-11-16(5-8-18(19)20)22(28)10-14-2-1-9-26-13-14;24-18-8-6-17(7-9-18)20-13-22(23(25)28)27-21-12-15(5-10-19(20)21)3-4-16-2-1-11-26-14-16;23-17-6-4-16(5-7-17)19-10-21(22(24)28)27-20-9-14(3-8-18(19)20)1-2-15-11-25-13-26-12-15/h2*1-9,11-13,22,28H,10H2,(H2,25,29);1-2,5-14H,3-4H2,(H2,25,28);3-13H,1-2H2,(H2,24,28)
InChIKeyKYZATQASBNDXEW-UHFFFAOYSA-N
MW1518.65 g/mol
LogP15.66
Rot. Bonds20

About bis(4-(4-fluorophenyl)-7-(1-hydroxy-2-pyridin-3-ylethyl)quinoline-2-carboxamide);4-(4-fluorophenyl)-7-(2-pyridin-3-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carboxamide

bis(4-(4-fluorophenyl)-7-(1-hydroxy-2-pyridin-3-ylethyl)quinoline-2-carboxamide);4-(4-fluorophenyl)-7-(2-pyridin-3-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carboxamide (PubChem CID 159281528) has the molecular formula C91H71F4N13O6 and a molecular weight of 1518.65 g/mol. Its IUPAC name is bis(4-(4-fluorophenyl)-7-(1-hydroxy-2-pyridin-3-ylethyl)quinoline-2-carboxamide);4-(4-fluorophenyl)-7-(2-pyridin-3-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Namebis(4-(4-fluorophenyl)-7-(1-hydroxy-2-pyridin-3-ylethyl)quinoline-2-carboxamide);4-(4-fluorophenyl)-7-(2-pyridin-3-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carboxamide
PubChem CID159281528
Molecular FormulaC91H71F4N13O6
Molecular Weight1518.65 g/mol
Exact Mass1517.56
IUPAC Namebis(4-(4-fluorophenyl)-7-(1-hydroxy-2-pyridin-3-ylethyl)quinoline-2-carboxamide);4-(4-fluorophenyl)-7-(2-pyridin-3-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(O)Cc3cccnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(O)Cc3cccnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3cccnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3cncnc3)cc2n1
InChIInChI=1S/2C23H18FN3O2.C23H18FN3O.C22H17FN4O/c2*24-17-6-3-15(4-7-17)19-12-21(23(25)29)27-20-11-16(5-8-18(19)20)22(28)10-14-2-1-9-26-13-14;24-18-8-6-17(7-9-18)20-13-22(23(25)28)27-21-12-15(5-10-19(20)21)3-4-16-2-1-11-26-14-16;23-17-6-4-16(5-7-17)19-10-21(22(24)28)27-20-9-14(3-8-18(19)20)1-2-15-11-25-13-26-12-15/h2*1-9,11-13,22,28H,10H2,(H2,25,29);1-2,5-14H,3-4H2,(H2,25,28);3-13H,1-2H2,(H2,24,28)
InChIKeyKYZATQASBNDXEW-UHFFFAOYSA-N
XLogP15.66
TPSA328.83 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001518.65
LogP ≤ 515.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze bis(4-(4-fluorophenyl)-7-(1-hydroxy-2-pyridin-3-ylethyl)quinoline-2-carboxamide);4-(4-fluorophenyl)-7-(2-pyridin-3-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carboxamide with MolForge

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Related Compounds

2-chloro-5-methanidylpyridine;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-fluorophenyl)quinoline-2-carboxamide);chlorozinc(1+);4-(4-fluorophenyl)-7-methoxyquinoline-2-carboxamide;oxolane
CID 158119550
4-(4-fluorophenyl)-7-[(1-oxo-1,2-thiazolidin-2-yl)methyl]quinoline-2-carboxamide
CID 130412132
(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol
CID 93312266
4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 71565884
1-naphthalen-2-yl-2-pyridin-3-ylethanol
CID 62790666
7-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-4-(3-fluoro-4-methoxyphenyl)quinoline-2-carboxamide
CID 123276212
1-(4-phenylphenyl)-2-pyridin-3-ylethanol
CID 65455131
1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 104735818
1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 113446855
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol
CID 104736133
1-(3,5-dichlorophenyl)-2-pyridin-3-ylethanol
CID 113446836
5-(4-fluorophenyl)-2-(2-pyridin-3-ylethyl)pyridine
CID 57217721

Frequently Asked Questions

What is the IUPAC name of bis(4-(4-fluorophenyl)-7-(1-hydroxy-2-pyridin-3-ylethyl)quinoline-2-carboxamide);4-(4-fluorophenyl)-7-(2-pyridin-3-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carboxamide?
The IUPAC name of bis(4-(4-fluorophenyl)-7-(1-hydroxy-2-pyridin-3-ylethyl)quinoline-2-carboxamide);4-(4-fluorophenyl)-7-(2-pyridin-3-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carboxamide (CID 159281528) is bis(4-(4-fluorophenyl)-7-(1-hydroxy-2-pyridin-3-ylethyl)quinoline-2-carboxamide);4-(4-fluorophenyl)-7-(2-pyridin-3-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carboxamide.
What is the SMILES notation for bis(4-(4-fluorophenyl)-7-(1-hydroxy-2-pyridin-3-ylethyl)quinoline-2-carboxamide);4-(4-fluorophenyl)-7-(2-pyridin-3-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carboxamide?
The canonical SMILES for bis(4-(4-fluorophenyl)-7-(1-hydroxy-2-pyridin-3-ylethyl)quinoline-2-carboxamide);4-(4-fluorophenyl)-7-(2-pyridin-3-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(O)Cc3cccnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(O)Cc3cccnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3cccnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3cncnc3)cc2n1.
What is the InChIKey of bis(4-(4-fluorophenyl)-7-(1-hydroxy-2-pyridin-3-ylethyl)quinoline-2-carboxamide);4-(4-fluorophenyl)-7-(2-pyridin-3-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carboxamide?
The InChIKey is KYZATQASBNDXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H18FN3O2.C23H18FN3O.C22H17FN4O/c2*24-17-6-3-15(4-7-17)19-12-21(23(25)29)27-20-11-16(5-8-18(19)20)22(28)10-14-2-1-9-26-13-14;24-18-8-6-17(7-9-18)20-13-22(23(25)28)27-21-12-15(5-10-19(20)21)3-4-16-2-1-11-26-14-16;23-17-6-4-16(5-7-17)19-10-21(22(24)28)27-20-9-14(3-8-18(19)20)1-2-15-11-25-13-26-12-15/h2*1-9,11-13,22,28H,10H2,(H2,25,29);1-2,5-14H,3-4H2,(H2,25,28);3-13H,1-2H2,(H2,24,28).
What are the key properties of bis(4-(4-fluorophenyl)-7-(1-hydroxy-2-pyridin-3-ylethyl)quinoline-2-carboxamide);4-(4-fluorophenyl)-7-(2-pyridin-3-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carboxamide?
bis(4-(4-fluorophenyl)-7-(1-hydroxy-2-pyridin-3-ylethyl)quinoline-2-carboxamide);4-(4-fluorophenyl)-7-(2-pyridin-3-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carboxamide has a molecular weight of 1518.65 g/mol, XLogP of 15.66, 20 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(4-fluorophenyl)-7-(1-hydroxy-2-pyridin-3-ylethyl)quinoline-2-carboxamide);4-(4-fluorophenyl)-7-(2-pyridin-3-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carboxamide is sourced from PubChem (CID 159281528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).