7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[1-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]quinoline-2-carboxamide);4-(4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide

C96H82ClF2N13O9 — CID 159932862

IUPAC7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[1-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]quinoline-2-carboxamide);4-(4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(C(O)Cc4ccc(Cl)nc4)ccc23)cc1.COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)cc1.Cc1ccc(CC(O)c2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.Cc1ccc(CC(O)c2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1
InChIInChI=1S/C24H20ClN3O3.2C24H20FN3O2.C24H22N4O2/c1-31-17-6-3-15(4-7-17)19-12-21(24(26)30)28-20-11-16(5-8-18(19)20)22(29)10-14-2-9-23(25)27-13-14;2*1-14-2-3-15(13-27-14)10-23(29)17-6-9-19-20(16-4-7-18(25)8-5-16)12-22(24(26)30)28-21(19)11-17;1-15-26-13-17(14-27-15)4-3-16-5-10-20-21(18-6-8-19(30-2)9-7-18)12-23(24(25)29)28-22(20)11-16/h2-9,11-13,22,29H,10H2,1H3,(H2,26,30);2*2-9,11-13,23,29H,10H2,1H3,(H2,26,30);5-14H,3-4H2,1-2H3,(H2,25,29)
InChIKeyNZWFYFMRCRNOPR-UHFFFAOYSA-N
MW1635.24 g/mol
LogP16.47
Rot. Bonds22

About 7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[1-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]quinoline-2-carboxamide);4-(4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide

7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[1-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]quinoline-2-carboxamide);4-(4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide (PubChem CID 159932862) has the molecular formula C96H82ClF2N13O9 and a molecular weight of 1635.24 g/mol. Its IUPAC name is 7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[1-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]quinoline-2-carboxamide);4-(4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[1-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]quinoline-2-carboxamide);4-(4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
PubChem CID159932862
Molecular FormulaC96H82ClF2N13O9
Molecular Weight1635.24 g/mol
Exact Mass1633.60
IUPAC Name7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[1-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]quinoline-2-carboxamide);4-(4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(C(O)Cc4ccc(Cl)nc4)ccc23)cc1.COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)cc1.Cc1ccc(CC(O)c2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.Cc1ccc(CC(O)c2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1
InChIInChI=1S/C24H20ClN3O3.2C24H20FN3O2.C24H22N4O2/c1-31-17-6-3-15(4-7-17)19-12-21(24(26)30)28-20-11-16(5-8-18(19)20)22(29)10-14-2-9-23(25)27-13-14;2*1-14-2-3-15(13-27-14)10-23(29)17-6-9-19-20(16-4-7-18(25)8-5-16)12-22(24(26)30)28-21(19)11-17;1-15-26-13-17(14-27-15)4-3-16-5-10-20-21(18-6-8-19(30-2)9-7-18)12-23(24(25)29)28-22(20)11-16/h2-9,11-13,22,29H,10H2,1H3,(H2,26,30);2*2-9,11-13,23,29H,10H2,1H3,(H2,26,30);5-14H,3-4H2,1-2H3,(H2,25,29)
InChIKeyNZWFYFMRCRNOPR-UHFFFAOYSA-N
XLogP16.47
TPSA367.52 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001635.24
LogP ≤ 516.47
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[1-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]quinoline-2-carboxamide);4-(4-methoxyphenyl)-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
4-(2-Fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide
CID 71565966
4-(2,6-Difluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
CID 89554866
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-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide
CID 89554993
4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2(S)-yl]quinoline-2-carboxamide
CID 138404027
4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2(R)-yl]quinoline-2-carboxamide
CID 138404028
Pge83N3Q5F
CID 169490868
7-[2-(2,4-Dimethylpyrimidin-5-yl)ethyl]-4-(3-fluoro-4-methoxyphenyl)quinoline-2-carboxamide
CID 123276212
2-[[3-[5-[3-Chloro-2-fluoro-5-[[6-methoxy-2-(2-methyl-3-pyridinyl)quinazolin-4-yl]amino]phenyl]-2-methyl-3-pyridinyl]-7-methoxyisoquinolin-1-yl]amino]benzamide
CID 123958557

Frequently Asked Questions

What is the IUPAC name of 7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[1-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]quinoline-2-carboxamide);4-(4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide?
The IUPAC name of 7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[1-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]quinoline-2-carboxamide);4-(4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide (CID 159932862) is 7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[1-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]quinoline-2-carboxamide);4-(4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for 7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[1-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]quinoline-2-carboxamide);4-(4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide?
The canonical SMILES for 7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[1-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]quinoline-2-carboxamide);4-(4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide is COc1ccc(-c2cc(C(N)=O)nc3cc(C(O)Cc4ccc(Cl)nc4)ccc23)cc1.COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)cc1.Cc1ccc(CC(O)c2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.Cc1ccc(CC(O)c2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.
What is the InChIKey of 7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[1-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]quinoline-2-carboxamide);4-(4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide?
The InChIKey is NZWFYFMRCRNOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3.2C24H20FN3O2.C24H22N4O2/c1-31-17-6-3-15(4-7-17)19-12-21(24(26)30)28-20-11-16(5-8-18(19)20)22(29)10-14-2-9-23(25)27-13-14;2*1-14-2-3-15(13-27-14)10-23(29)17-6-9-19-20(16-4-7-18(25)8-5-16)12-22(24(26)30)28-21(19)11-17;1-15-26-13-17(14-27-15)4-3-16-5-10-20-21(18-6-8-19(30-2)9-7-18)12-23(24(25)29)28-22(20)11-16/h2-9,11-13,22,29H,10H2,1H3,(H2,26,30);2*2-9,11-13,23,29H,10H2,1H3,(H2,26,30);5-14H,3-4H2,1-2H3,(H2,25,29).
What are the key properties of 7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[1-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]quinoline-2-carboxamide);4-(4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide?
7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[1-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]quinoline-2-carboxamide);4-(4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide has a molecular weight of 1635.24 g/mol, XLogP of 16.47, 22 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[1-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]quinoline-2-carboxamide);4-(4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 159932862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).