2-(5-chloro-2-fluorophenyl)-4-(8-chloroisoquinolin-5-yl)-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2,3-dihydroxypropyl)-2,7-naphthyridin-1-one;2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,6-naphthyridin-1-one

C97H65Cl4F4N15O5 — CID 159425512

IUPAC2-(5-chloro-2-fluorophenyl)-4-(8-chloroisoquinolin-5-yl)-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2,3-dihydroxypropyl)-2,7-naphthyridin-1-one;2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,6-naphthyridin-1-one
SMILESCN(C)CCOc1ccc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.Fc1ccc(Cl)cc1-c1cc(-c2ccc(Cl)c3cnccc23)c2cccnc2n1.O=c1[nH]ccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)nccc12.O=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CC(O)CO
InChIInChI=1S/C27H22ClFN4O.C25H18ClFN4O3.C23H12Cl2FN3.C22H13FN4O/c1-33(2)12-13-34-26-8-6-18(19-9-11-30-16-23(19)26)21-15-25(22-14-17(28)5-7-24(22)29)32-27-20(21)4-3-10-31-27;26-14-3-4-22(27)19(8-14)23-9-18(17-2-1-6-29-24(17)30-23)21-12-31(11-15(33)13-32)25(34)20-10-28-7-5-16(20)21;24-13-3-6-21(26)18(10-13)22-11-17(16-2-1-8-28-23(16)29-22)14-4-5-20(25)19-12-27-9-7-15(14)19;23-18-6-2-1-4-16(18)19-12-17(14-5-3-9-25-21(14)27-19)20-13-7-11-26-22(28)15(13)8-10-24-20/h3-11,14-16H,12-13H2,1-2H3;1-10,12,15,32-33H,11,13H2;1-12H;1-12H,(H,26,28)
InChIKeyLQHJQARMELTBAS-UHFFFAOYSA-N
MW1738.49 g/mol
LogP21.36
Rot. Bonds15

About 2-(5-chloro-2-fluorophenyl)-4-(8-chloroisoquinolin-5-yl)-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2,3-dihydroxypropyl)-2,7-naphthyridin-1-one;2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,6-naphthyridin-1-one

2-(5-chloro-2-fluorophenyl)-4-(8-chloroisoquinolin-5-yl)-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2,3-dihydroxypropyl)-2,7-naphthyridin-1-one;2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,6-naphthyridin-1-one (PubChem CID 159425512) has the molecular formula C97H65Cl4F4N15O5 and a molecular weight of 1738.49 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-(8-chloroisoquinolin-5-yl)-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2,3-dihydroxypropyl)-2,7-naphthyridin-1-one;2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-(8-chloroisoquinolin-5-yl)-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2,3-dihydroxypropyl)-2,7-naphthyridin-1-one;2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,6-naphthyridin-1-one
PubChem CID159425512
Molecular FormulaC97H65Cl4F4N15O5
Molecular Weight1738.49 g/mol
Exact Mass1735.40
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-(8-chloroisoquinolin-5-yl)-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2,3-dihydroxypropyl)-2,7-naphthyridin-1-one;2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,6-naphthyridin-1-one
SMILESCN(C)CCOc1ccc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.Fc1ccc(Cl)cc1-c1cc(-c2ccc(Cl)c3cnccc23)c2cccnc2n1.O=c1[nH]ccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)nccc12.O=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CC(O)CO
InChIInChI=1S/C27H22ClFN4O.C25H18ClFN4O3.C23H12Cl2FN3.C22H13FN4O/c1-33(2)12-13-34-26-8-6-18(19-9-11-30-16-23(19)26)21-15-25(22-14-17(28)5-7-24(22)29)32-27-20(21)4-3-10-31-27;26-14-3-4-22(27)19(8-14)23-9-18(17-2-1-6-29-24(17)30-23)21-12-31(11-15(33)13-32)25(34)20-10-28-7-5-16(20)21;24-13-3-6-21(26)18(10-13)22-11-17(16-2-1-8-28-23(16)29-22)14-4-5-20(25)19-12-27-9-7-15(14)19;23-18-6-2-1-4-16(18)19-12-17(14-5-3-9-25-21(14)27-19)20-13-7-11-26-22(28)15(13)8-10-24-20/h3-11,14-16H,12-13H2,1-2H3;1-10,12,15,32-33H,11,13H2;1-12H;1-12H,(H,26,28)
InChIKeyLQHJQARMELTBAS-UHFFFAOYSA-N
XLogP21.36
TPSA262.47 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms125
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001738.49
LogP ≤ 521.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 2-(5-chloro-2-fluorophenyl)-4-(8-chloroisoquinolin-5-yl)-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2,3-dihydroxypropyl)-2,7-naphthyridin-1-one;2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,6-naphthyridin-1-one 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

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-(8-chloroisoquinolin-5-yl)-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2,3-dihydroxypropyl)-2,7-naphthyridin-1-one;2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,6-naphthyridin-1-one?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-(8-chloroisoquinolin-5-yl)-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2,3-dihydroxypropyl)-2,7-naphthyridin-1-one;2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,6-naphthyridin-1-one (CID 159425512) is 2-(5-chloro-2-fluorophenyl)-4-(8-chloroisoquinolin-5-yl)-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2,3-dihydroxypropyl)-2,7-naphthyridin-1-one;2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,6-naphthyridin-1-one.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-(8-chloroisoquinolin-5-yl)-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2,3-dihydroxypropyl)-2,7-naphthyridin-1-one;2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,6-naphthyridin-1-one?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-(8-chloroisoquinolin-5-yl)-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2,3-dihydroxypropyl)-2,7-naphthyridin-1-one;2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,6-naphthyridin-1-one is CN(C)CCOc1ccc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.Fc1ccc(Cl)cc1-c1cc(-c2ccc(Cl)c3cnccc23)c2cccnc2n1.O=c1[nH]ccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)nccc12.O=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CC(O)CO.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-(8-chloroisoquinolin-5-yl)-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2,3-dihydroxypropyl)-2,7-naphthyridin-1-one;2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,6-naphthyridin-1-one?
The InChIKey is LQHJQARMELTBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClFN4O.C25H18ClFN4O3.C23H12Cl2FN3.C22H13FN4O/c1-33(2)12-13-34-26-8-6-18(19-9-11-30-16-23(19)26)21-15-25(22-14-17(28)5-7-24(22)29)32-27-20(21)4-3-10-31-27;26-14-3-4-22(27)19(8-14)23-9-18(17-2-1-6-29-24(17)30-23)21-12-31(11-15(33)13-32)25(34)20-10-28-7-5-16(20)21;24-13-3-6-21(26)18(10-13)22-11-17(16-2-1-8-28-23(16)29-22)14-4-5-20(25)19-12-27-9-7-15(14)19;23-18-6-2-1-4-16(18)19-12-17(14-5-3-9-25-21(14)27-19)20-13-7-11-26-22(28)15(13)8-10-24-20/h3-11,14-16H,12-13H2,1-2H3;1-10,12,15,32-33H,11,13H2;1-12H;1-12H,(H,26,28).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-(8-chloroisoquinolin-5-yl)-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2,3-dihydroxypropyl)-2,7-naphthyridin-1-one;2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,6-naphthyridin-1-one?
2-(5-chloro-2-fluorophenyl)-4-(8-chloroisoquinolin-5-yl)-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2,3-dihydroxypropyl)-2,7-naphthyridin-1-one;2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,6-naphthyridin-1-one has a molecular weight of 1738.49 g/mol, XLogP of 21.36, 15 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-(8-chloroisoquinolin-5-yl)-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2,3-dihydroxypropyl)-2,7-naphthyridin-1-one;2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,6-naphthyridin-1-one is sourced from PubChem (CID 159425512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).