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

C96H83Cl2FN14O10 — CID 158678689

IUPAC7-[2-(2-amino-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(2-fluoro-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(C(O)Cc4ccc(Cl)nc4)ccc23)cc1.COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cccnc4N)ccc23)cc1.COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)c(F)c1
InChIInChI=1S/2C24H20ClN3O3.C24H21FN4O2.C24H22N4O2/c2*1-31-17-6-3-15(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;1-14-27-12-16(13-28-14)4-3-15-5-7-19-20(11-23(24(26)30)29-22(19)9-15)18-8-6-17(31-2)10-21(18)25;1-30-18-9-7-16(8-10-18)20-14-22(24(26)29)28-21-13-15(5-11-19(20)21)4-6-17-3-2-12-27-23(17)25/h2*2-9,11-13,22,29H,10H2,1H3,(H2,26,30);5-13H,3-4H2,1-2H3,(H2,26,30);2-3,5,7-14H,4,6H2,1H3,(H2,25,27)(H2,26,29)
InChIKeyIEVODIYSMZCAPZ-UHFFFAOYSA-N
MW1682.71 g/mol
LogP16.47
Rot. Bonds24

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

7-[2-(2-amino-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(2-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide (PubChem CID 158678689) has the molecular formula C96H83Cl2FN14O10 and a molecular weight of 1682.71 g/mol. Its IUPAC name is 7-[2-(2-amino-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(2-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[2-(2-amino-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(2-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
PubChem CID158678689
Molecular FormulaC96H83Cl2FN14O10
Molecular Weight1682.71 g/mol
Exact Mass1680.58
IUPAC Name7-[2-(2-amino-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(2-fluoro-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(C(O)Cc4ccc(Cl)nc4)ccc23)cc1.COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cccnc4N)ccc23)cc1.COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)c(F)c1
InChIInChI=1S/2C24H20ClN3O3.C24H21FN4O2.C24H22N4O2/c2*1-31-17-6-3-15(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;1-14-27-12-16(13-28-14)4-3-15-5-7-19-20(11-23(24(26)30)29-22(19)9-15)18-8-6-17(31-2)10-21(18)25;1-30-18-9-7-16(8-10-18)20-14-22(24(26)29)28-21-13-15(5-11-19(20)21)4-6-17-3-2-12-27-23(17)25/h2*2-9,11-13,22,29H,10H2,1H3,(H2,26,30);5-13H,3-4H2,1-2H3,(H2,26,30);2-3,5,7-14H,4,6H2,1H3,(H2,25,27)(H2,26,29)
InChIKeyIEVODIYSMZCAPZ-UHFFFAOYSA-N
XLogP16.47
TPSA391.77 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001682.71
LogP ≤ 516.47
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 7-[2-(2-amino-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(2-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-[[2-[5-[3-Chloro-2-fluoro-5-[[6-methoxy-2-(2-methyl-3-pyridinyl)quinazolin-4-yl]amino]phenyl]-2-methyl-3-pyridinyl]-6-methoxyquinazolin-4-yl]amino]benzamide
CID 144500683

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-amino-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(2-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide?
The IUPAC name of 7-[2-(2-amino-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(2-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide (CID 158678689) is 7-[2-(2-amino-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(2-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for 7-[2-(2-amino-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(2-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide?
The canonical SMILES for 7-[2-(2-amino-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(2-fluoro-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(C(O)Cc4ccc(Cl)nc4)ccc23)cc1.COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cccnc4N)ccc23)cc1.COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)c(F)c1.
What is the InChIKey of 7-[2-(2-amino-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(2-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide?
The InChIKey is IEVODIYSMZCAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H20ClN3O3.C24H21FN4O2.C24H22N4O2/c2*1-31-17-6-3-15(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;1-14-27-12-16(13-28-14)4-3-15-5-7-19-20(11-23(24(26)30)29-22(19)9-15)18-8-6-17(31-2)10-21(18)25;1-30-18-9-7-16(8-10-18)20-14-22(24(26)29)28-21-13-15(5-11-19(20)21)4-6-17-3-2-12-27-23(17)25/h2*2-9,11-13,22,29H,10H2,1H3,(H2,26,30);5-13H,3-4H2,1-2H3,(H2,26,30);2-3,5,7-14H,4,6H2,1H3,(H2,25,27)(H2,26,29).
What are the key properties of 7-[2-(2-amino-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(2-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide?
7-[2-(2-amino-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(2-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide has a molecular weight of 1682.71 g/mol, XLogP of 16.47, 24 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-amino-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);4-(2-fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 158678689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).