3-(4-chlorophenyl)-1,6-naphthyridine;3-(2,4-dimethoxyphenyl)-1,6-naphthyridine;3-(3,4-dimethoxyphenyl)-1,6-naphthyridine;ethyl 3-(1,6-naphthyridin-3-yl)benzoate;3-(2-methoxyphenyl)-1,6-naphthyridine;3-(2-methylphenyl)-1,6-naphthyridine;3-(4-methylphenyl)-1,6-naphthyridine;3-(3-nitrophenyl)-1,6-naphthyridine

C122H96ClN17O9 — CID 158116307

IUPAC3-(4-chlorophenyl)-1,6-naphthyridine;3-(2,4-dimethoxyphenyl)-1,6-naphthyridine;3-(3,4-dimethoxyphenyl)-1,6-naphthyridine;ethyl 3-(1,6-naphthyridin-3-yl)benzoate;3-(2-methoxyphenyl)-1,6-naphthyridine;3-(2-methylphenyl)-1,6-naphthyridine;3-(4-methylphenyl)-1,6-naphthyridine;3-(3-nitrophenyl)-1,6-naphthyridine
SMILESCCOC(=O)c1cccc(-c2cnc3ccncc3c2)c1.COc1ccc(-c2cnc3ccncc3c2)c(OC)c1.COc1ccc(-c2cnc3ccncc3c2)cc1OC.COc1ccccc1-c1cnc2ccncc2c1.Cc1ccc(-c2cnc3ccncc3c2)cc1.Cc1ccccc1-c1cnc2ccncc2c1.Clc1ccc(-c2cnc3ccncc3c2)cc1.O=[N+]([O-])c1cccc(-c2cnc3ccncc3c2)c1
InChIInChI=1S/C17H14N2O2.2C16H14N2O2.C15H12N2O.2C15H12N2.C14H9ClN2.C14H9N3O2/c1-2-21-17(20)13-5-3-4-12(8-13)14-9-15-10-18-7-6-16(15)19-11-14;1-19-13-3-4-14(16(8-13)20-2)11-7-12-9-17-6-5-15(12)18-10-11;1-19-15-4-3-11(8-16(15)20-2)12-7-13-9-17-6-5-14(13)18-10-12;1-18-15-5-3-2-4-13(15)11-8-12-9-16-7-6-14(12)17-10-11;1-11-2-4-12(5-3-11)13-8-14-9-16-7-6-15(14)17-10-13;1-11-4-2-3-5-14(11)12-8-13-9-16-7-6-15(13)17-10-12;15-13-3-1-10(2-4-13)11-7-12-8-16-6-5-14(12)17-9-11;18-17(19)13-3-1-2-10(7-13)11-6-12-8-15-5-4-14(12)16-9-11/h3-11H,2H2,1H3;2*3-10H,1-2H3;2-10H,1H3;2*2-10H,1H3;1-9H;1-9H
InChIKeyFRAVTSSCKIHBQG-UHFFFAOYSA-N
MW1979.67 g/mol
LogP27.77
Rot. Bonds16

About 3-(4-chlorophenyl)-1,6-naphthyridine;3-(2,4-dimethoxyphenyl)-1,6-naphthyridine;3-(3,4-dimethoxyphenyl)-1,6-naphthyridine;ethyl 3-(1,6-naphthyridin-3-yl)benzoate;3-(2-methoxyphenyl)-1,6-naphthyridine;3-(2-methylphenyl)-1,6-naphthyridine;3-(4-methylphenyl)-1,6-naphthyridine;3-(3-nitrophenyl)-1,6-naphthyridine

3-(4-chlorophenyl)-1,6-naphthyridine;3-(2,4-dimethoxyphenyl)-1,6-naphthyridine;3-(3,4-dimethoxyphenyl)-1,6-naphthyridine;ethyl 3-(1,6-naphthyridin-3-yl)benzoate;3-(2-methoxyphenyl)-1,6-naphthyridine;3-(2-methylphenyl)-1,6-naphthyridine;3-(4-methylphenyl)-1,6-naphthyridine;3-(3-nitrophenyl)-1,6-naphthyridine (PubChem CID 158116307) has the molecular formula C122H96ClN17O9 and a molecular weight of 1979.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,6-naphthyridine;3-(2,4-dimethoxyphenyl)-1,6-naphthyridine;3-(3,4-dimethoxyphenyl)-1,6-naphthyridine;ethyl 3-(1,6-naphthyridin-3-yl)benzoate;3-(2-methoxyphenyl)-1,6-naphthyridine;3-(2-methylphenyl)-1,6-naphthyridine;3-(4-methylphenyl)-1,6-naphthyridine;3-(3-nitrophenyl)-1,6-naphthyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,6-naphthyridine;3-(2,4-dimethoxyphenyl)-1,6-naphthyridine;3-(3,4-dimethoxyphenyl)-1,6-naphthyridine;ethyl 3-(1,6-naphthyridin-3-yl)benzoate;3-(2-methoxyphenyl)-1,6-naphthyridine;3-(2-methylphenyl)-1,6-naphthyridine;3-(4-methylphenyl)-1,6-naphthyridine;3-(3-nitrophenyl)-1,6-naphthyridine
PubChem CID158116307
Molecular FormulaC122H96ClN17O9
Molecular Weight1979.67 g/mol
Exact Mass1977.73
IUPAC Name3-(4-chlorophenyl)-1,6-naphthyridine;3-(2,4-dimethoxyphenyl)-1,6-naphthyridine;3-(3,4-dimethoxyphenyl)-1,6-naphthyridine;ethyl 3-(1,6-naphthyridin-3-yl)benzoate;3-(2-methoxyphenyl)-1,6-naphthyridine;3-(2-methylphenyl)-1,6-naphthyridine;3-(4-methylphenyl)-1,6-naphthyridine;3-(3-nitrophenyl)-1,6-naphthyridine
SMILESCCOC(=O)c1cccc(-c2cnc3ccncc3c2)c1.COc1ccc(-c2cnc3ccncc3c2)c(OC)c1.COc1ccc(-c2cnc3ccncc3c2)cc1OC.COc1ccccc1-c1cnc2ccncc2c1.Cc1ccc(-c2cnc3ccncc3c2)cc1.Cc1ccccc1-c1cnc2ccncc2c1.Clc1ccc(-c2cnc3ccncc3c2)cc1.O=[N+]([O-])c1cccc(-c2cnc3ccncc3c2)c1
InChIInChI=1S/C17H14N2O2.2C16H14N2O2.C15H12N2O.2C15H12N2.C14H9ClN2.C14H9N3O2/c1-2-21-17(20)13-5-3-4-12(8-13)14-9-15-10-18-7-6-16(15)19-11-14;1-19-13-3-4-14(16(8-13)20-2)11-7-12-9-17-6-5-15(12)18-10-11;1-19-15-4-3-11(8-16(15)20-2)12-7-13-9-17-6-5-14(13)18-10-12;1-18-15-5-3-2-4-13(15)11-8-12-9-16-7-6-14(12)17-10-11;1-11-2-4-12(5-3-11)13-8-14-9-16-7-6-15(14)17-10-13;1-11-4-2-3-5-14(11)12-8-13-9-16-7-6-15(13)17-10-12;15-13-3-1-10(2-4-13)11-7-12-8-16-6-5-14(12)17-9-11;18-17(19)13-3-1-2-10(7-13)11-6-12-8-15-5-4-14(12)16-9-11/h3-11H,2H2,1H3;2*3-10H,1-2H3;2-10H,1H3;2*2-10H,1H3;1-9H;1-9H
InChIKeyFRAVTSSCKIHBQG-UHFFFAOYSA-N
XLogP27.77
TPSA321.83 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001979.67
LogP ≤ 527.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(4-chlorophenyl)-1,6-naphthyridine;3-(2,4-dimethoxyphenyl)-1,6-naphthyridine;3-(3,4-dimethoxyphenyl)-1,6-naphthyridine;ethyl 3-(1,6-naphthyridin-3-yl)benzoate;3-(2-methoxyphenyl)-1,6-naphthyridine;3-(2-methylphenyl)-1,6-naphthyridine;3-(4-methylphenyl)-1,6-naphthyridine;3-(3-nitrophenyl)-1,6-naphthyridine with MolForge

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Related Compounds

1-chloro-2-(4-methylphenyl)benzene;1-chloro-4-(4-methylphenyl)benzene;2,4-dichloro-1-(4-methylphenyl)benzene;1,4-dimethoxy-2-(4-methylphenyl)benzene;2,4-dimethoxy-1-(4-methylphenyl)benzene;2-fluoro-1-methoxy-4-(4-methylphenyl)benzene;1-(4-methylphenyl)naphthalene;1-(4-methylphenyl)-3-nitrobenzene
CID 158132978
ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate
CID 10042684
ethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate
CID 46298722
ethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate
CID 139986038
ethyl 3-(2-methylphenyl)benzoate
CID 161279352
ethyl 3-(2-hydroxy-4-nitrophenyl)benzoate
CID 11044381
4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine
CID 15453442
ethyl 7-methoxy-3-[(3-nitrobenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate
CID 3797395
4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide
CID 18476102
5-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 936656
ethyl 4-[2-(3,4-difluoroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate
CID 46298723
ethane;ethylbenzene;ethyl 3-[2-(5-chloro-2-methylphenyl)phenyl]benzoate
CID 142890256

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,6-naphthyridine;3-(2,4-dimethoxyphenyl)-1,6-naphthyridine;3-(3,4-dimethoxyphenyl)-1,6-naphthyridine;ethyl 3-(1,6-naphthyridin-3-yl)benzoate;3-(2-methoxyphenyl)-1,6-naphthyridine;3-(2-methylphenyl)-1,6-naphthyridine;3-(4-methylphenyl)-1,6-naphthyridine;3-(3-nitrophenyl)-1,6-naphthyridine?
The IUPAC name of 3-(4-chlorophenyl)-1,6-naphthyridine;3-(2,4-dimethoxyphenyl)-1,6-naphthyridine;3-(3,4-dimethoxyphenyl)-1,6-naphthyridine;ethyl 3-(1,6-naphthyridin-3-yl)benzoate;3-(2-methoxyphenyl)-1,6-naphthyridine;3-(2-methylphenyl)-1,6-naphthyridine;3-(4-methylphenyl)-1,6-naphthyridine;3-(3-nitrophenyl)-1,6-naphthyridine (CID 158116307) is 3-(4-chlorophenyl)-1,6-naphthyridine;3-(2,4-dimethoxyphenyl)-1,6-naphthyridine;3-(3,4-dimethoxyphenyl)-1,6-naphthyridine;ethyl 3-(1,6-naphthyridin-3-yl)benzoate;3-(2-methoxyphenyl)-1,6-naphthyridine;3-(2-methylphenyl)-1,6-naphthyridine;3-(4-methylphenyl)-1,6-naphthyridine;3-(3-nitrophenyl)-1,6-naphthyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-1,6-naphthyridine;3-(2,4-dimethoxyphenyl)-1,6-naphthyridine;3-(3,4-dimethoxyphenyl)-1,6-naphthyridine;ethyl 3-(1,6-naphthyridin-3-yl)benzoate;3-(2-methoxyphenyl)-1,6-naphthyridine;3-(2-methylphenyl)-1,6-naphthyridine;3-(4-methylphenyl)-1,6-naphthyridine;3-(3-nitrophenyl)-1,6-naphthyridine?
The canonical SMILES for 3-(4-chlorophenyl)-1,6-naphthyridine;3-(2,4-dimethoxyphenyl)-1,6-naphthyridine;3-(3,4-dimethoxyphenyl)-1,6-naphthyridine;ethyl 3-(1,6-naphthyridin-3-yl)benzoate;3-(2-methoxyphenyl)-1,6-naphthyridine;3-(2-methylphenyl)-1,6-naphthyridine;3-(4-methylphenyl)-1,6-naphthyridine;3-(3-nitrophenyl)-1,6-naphthyridine is CCOC(=O)c1cccc(-c2cnc3ccncc3c2)c1.COc1ccc(-c2cnc3ccncc3c2)c(OC)c1.COc1ccc(-c2cnc3ccncc3c2)cc1OC.COc1ccccc1-c1cnc2ccncc2c1.Cc1ccc(-c2cnc3ccncc3c2)cc1.Cc1ccccc1-c1cnc2ccncc2c1.Clc1ccc(-c2cnc3ccncc3c2)cc1.O=[N+]([O-])c1cccc(-c2cnc3ccncc3c2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-1,6-naphthyridine;3-(2,4-dimethoxyphenyl)-1,6-naphthyridine;3-(3,4-dimethoxyphenyl)-1,6-naphthyridine;ethyl 3-(1,6-naphthyridin-3-yl)benzoate;3-(2-methoxyphenyl)-1,6-naphthyridine;3-(2-methylphenyl)-1,6-naphthyridine;3-(4-methylphenyl)-1,6-naphthyridine;3-(3-nitrophenyl)-1,6-naphthyridine?
The InChIKey is FRAVTSSCKIHBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2.2C16H14N2O2.C15H12N2O.2C15H12N2.C14H9ClN2.C14H9N3O2/c1-2-21-17(20)13-5-3-4-12(8-13)14-9-15-10-18-7-6-16(15)19-11-14;1-19-13-3-4-14(16(8-13)20-2)11-7-12-9-17-6-5-15(12)18-10-11;1-19-15-4-3-11(8-16(15)20-2)12-7-13-9-17-6-5-14(13)18-10-12;1-18-15-5-3-2-4-13(15)11-8-12-9-16-7-6-14(12)17-10-11;1-11-2-4-12(5-3-11)13-8-14-9-16-7-6-15(14)17-10-13;1-11-4-2-3-5-14(11)12-8-13-9-16-7-6-15(13)17-10-12;15-13-3-1-10(2-4-13)11-7-12-8-16-6-5-14(12)17-9-11;18-17(19)13-3-1-2-10(7-13)11-6-12-8-15-5-4-14(12)16-9-11/h3-11H,2H2,1H3;2*3-10H,1-2H3;2-10H,1H3;2*2-10H,1H3;1-9H;1-9H.
What are the key properties of 3-(4-chlorophenyl)-1,6-naphthyridine;3-(2,4-dimethoxyphenyl)-1,6-naphthyridine;3-(3,4-dimethoxyphenyl)-1,6-naphthyridine;ethyl 3-(1,6-naphthyridin-3-yl)benzoate;3-(2-methoxyphenyl)-1,6-naphthyridine;3-(2-methylphenyl)-1,6-naphthyridine;3-(4-methylphenyl)-1,6-naphthyridine;3-(3-nitrophenyl)-1,6-naphthyridine?
3-(4-chlorophenyl)-1,6-naphthyridine;3-(2,4-dimethoxyphenyl)-1,6-naphthyridine;3-(3,4-dimethoxyphenyl)-1,6-naphthyridine;ethyl 3-(1,6-naphthyridin-3-yl)benzoate;3-(2-methoxyphenyl)-1,6-naphthyridine;3-(2-methylphenyl)-1,6-naphthyridine;3-(4-methylphenyl)-1,6-naphthyridine;3-(3-nitrophenyl)-1,6-naphthyridine has a molecular weight of 1979.67 g/mol, XLogP of 27.77, 16 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,6-naphthyridine;3-(2,4-dimethoxyphenyl)-1,6-naphthyridine;3-(3,4-dimethoxyphenyl)-1,6-naphthyridine;ethyl 3-(1,6-naphthyridin-3-yl)benzoate;3-(2-methoxyphenyl)-1,6-naphthyridine;3-(2-methylphenyl)-1,6-naphthyridine;3-(4-methylphenyl)-1,6-naphthyridine;3-(3-nitrophenyl)-1,6-naphthyridine is sourced from PubChem (CID 158116307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).