4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-methyl-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide

C101H73Cl3F4N18O7 — CID 158391269

IUPAC4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-methyl-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)nccc12.Cn1cc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc2c1=O.O=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CCCO.O=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CCN1CCOCC1
InChIInChI=1S/C28H23ClFN5O2.C25H18ClFN4O2.C25H18FN5O2.C23H14ClFN4O/c29-18-3-4-25(30)22(14-18)26-15-21(20-2-1-6-32-27(20)33-26)24-17-35(9-8-34-10-12-37-13-11-34)28(36)23-16-31-7-5-19(23)24;26-15-4-5-22(27)19(11-15)23-12-18(17-3-1-7-29-24(17)30-23)21-14-31(9-2-10-32)25(33)20-13-28-8-6-16(20)21;1-33-14-22(32)31-25-17-9-11-27-23(15(17)8-12-29-25)19-13-21(18-5-2-3-7-20(18)26)30-24-16(19)6-4-10-28-24;1-29-12-19(14-6-8-26-11-18(14)23(29)30)16-10-21(17-9-13(24)4-5-20(17)25)28-22-15(16)3-2-7-27-22/h1-7,14-17H,8-13H2;1,3-8,11-14,32H,2,9-10H2;2-13H,14H2,1H3,(H,29,31,32);2-12H,1H3
InChIKeyGWZLQIMMLYPBOL-UHFFFAOYSA-N
MW1833.16 g/mol
LogP19.28
Rot. Bonds17

About 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-methyl-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide

4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-methyl-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide (PubChem CID 158391269) has the molecular formula C101H73Cl3F4N18O7 and a molecular weight of 1833.16 g/mol. Its IUPAC name is 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-methyl-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide.

Molecular Properties

Compound Name4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-methyl-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide
PubChem CID158391269
Molecular FormulaC101H73Cl3F4N18O7
Molecular Weight1833.16 g/mol
Exact Mass1830.49
IUPAC Name4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-methyl-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)nccc12.Cn1cc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc2c1=O.O=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CCCO.O=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CCN1CCOCC1
InChIInChI=1S/C28H23ClFN5O2.C25H18ClFN4O2.C25H18FN5O2.C23H14ClFN4O/c29-18-3-4-25(30)22(14-18)26-15-21(20-2-1-6-32-27(20)33-26)24-17-35(9-8-34-10-12-37-13-11-34)28(36)23-16-31-7-5-19(23)24;26-15-4-5-22(27)19(11-15)23-12-18(17-3-1-7-29-24(17)30-23)21-14-31(9-2-10-32)25(33)20-13-28-8-6-16(20)21;1-33-14-22(32)31-25-17-9-11-27-23(15(17)8-12-29-25)19-13-21(18-5-2-3-7-20(18)26)30-24-16(19)6-4-10-28-24;1-29-12-19(14-6-8-26-11-18(14)23(29)30)16-10-21(17-9-13(24)4-5-20(17)25)28-22-15(16)3-2-7-27-22/h1-7,14-17H,8-13H2;1,3-8,11-14,32H,2,9-10H2;2-13H,14H2,1H3,(H,29,31,32);2-12H,1H3
InChIKeyGWZLQIMMLYPBOL-UHFFFAOYSA-N
XLogP19.28
TPSA304.60 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001833.16
LogP ≤ 519.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-methyl-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide with MolForge

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Related Compounds

N-(3-Chloro-4-fluorophenyl)-7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-amine
CID 53132237
N-(4-Chloro-3-fluorophenyl)-7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-amine
CID 53132252
4-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
CID 56592378
4-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one
CID 56592465
4-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one
CID 56592466
4-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2,3-dihydroxypropyl)-2,7-naphthyridin-1-one
CID 56592559
2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-methylpyrimidin-2-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)pyrimidine-2,4-diamine;methane;5-[2-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrimidin-2-amine
CID 157124266
4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;4-chloro-2-(2-fluoro-5-methylphenyl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-4-one;4-chloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridine;4-chloro-2-methyl-1,8-naphthyridine;4-chloro-2-(6-methyl-2-pyridinyl)-1,8-naphthyridine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-1,8-naphthyridin-4-one;bis(2-methyl-1H-1,8-naphthyridin-4-one);2-(6-methyl-2-pyridinyl)-1H-1,8-naphthyridin-4-one
CID 157513705
2-chloro-4-(morpholine-4-carbonyl)-N-(3-quinazolin-4-ylphenyl)benzamide;6-(4-methylpiperazin-1-yl)-N-(3-quinazolin-4-ylphenyl)pyridine-3-carboxamide;2-methyl-N-(3-quinazolin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;6-morpholin-4-yl-N-(3-quinazolin-4-ylphenyl)pyridine-3-carboxamide;6-piperazin-1-yl-N-(3-quinazolin-4-ylphenyl)pyridine-3-carboxamide
CID 157915802
4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;1-[2-[1-(5-chloro-2-fluorophenyl)ethenylamino]-3-pyridinyl]ethanone;2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-4-one;4-chloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridine;4-chloro-2-(6-methyl-2-pyridinyl)-1,8-naphthyridine;2-(3-fluoro-6-methyl-2-pyridinyl)-1H-1,8-naphthyridin-4-one;1-[2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethenylamino]-3-pyridinyl]ethanone;2-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-1,8-naphthyridin-4-one;methane;1-[2-[1-(6-methyl-2-pyridinyl)ethenylamino]-3-pyridinyl]ethanone
CID 158175222
N-[(3-chlorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 158202626
4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;4-chloro-2-(2-fluoro-5-methylphenyl)-1,8-naphthyridine;1-[2-[1-(5-chloro-2-fluorophenyl)ethenylamino]-3-pyridinyl]ethanone;2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-4-one;4-chloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridine;4-chloro-2-(6-methyl-2-pyridinyl)-1,8-naphthyridine;1-[2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethenylamino]-3-pyridinyl]ethanone;2-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-1,8-naphthyridin-4-one;1-[2-[1-(6-methyl-2-pyridinyl)ethenylamino]-3-pyridinyl]ethanone;2-(6-methyl-2-pyridinyl)-1H-1,8-naphthyridin-4-one
CID 158563957

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-methyl-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide?
The IUPAC name of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-methyl-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide (CID 158391269) is 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-methyl-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide.
What is the SMILES notation for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-methyl-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide?
The canonical SMILES for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-methyl-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide is COCC(=O)Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)nccc12.Cn1cc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc2c1=O.O=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CCCO.O=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CCN1CCOCC1.
What is the InChIKey of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-methyl-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide?
The InChIKey is GWZLQIMMLYPBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClFN5O2.C25H18ClFN4O2.C25H18FN5O2.C23H14ClFN4O/c29-18-3-4-25(30)22(14-18)26-15-21(20-2-1-6-32-27(20)33-26)24-17-35(9-8-34-10-12-37-13-11-34)28(36)23-16-31-7-5-19(23)24;26-15-4-5-22(27)19(11-15)23-12-18(17-3-1-7-29-24(17)30-23)21-14-31(9-2-10-32)25(33)20-13-28-8-6-16(20)21;1-33-14-22(32)31-25-17-9-11-27-23(15(17)8-12-29-25)19-13-21(18-5-2-3-7-20(18)26)30-24-16(19)6-4-10-28-24;1-29-12-19(14-6-8-26-11-18(14)23(29)30)16-10-21(17-9-13(24)4-5-20(17)25)28-22-15(16)3-2-7-27-22/h1-7,14-17H,8-13H2;1,3-8,11-14,32H,2,9-10H2;2-13H,14H2,1H3,(H,29,31,32);2-12H,1H3.
What are the key properties of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-methyl-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide?
4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-methyl-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide has a molecular weight of 1833.16 g/mol, XLogP of 19.28, 17 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(3-hydroxypropyl)-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-methyl-2,7-naphthyridin-1-one;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide is sourced from PubChem (CID 158391269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).