7-(3-bromo-4-piperidin-1-ylphenyl)-5-chloro-1,6-naphthyridine;5-chloro-7-(3-methoxy-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine;5-chloro-7-(3-methyl-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-(4-piperidin-1-ylphenyl)-1,6-naphthyridine;methane

C98H98BrCl5N16O — CID 161078159

IUPAC7-(3-bromo-4-piperidin-1-ylphenyl)-5-chloro-1,6-naphthyridine;5-chloro-7-(3-methoxy-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine;5-chloro-7-(3-methyl-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-(4-piperidin-1-ylphenyl)-1,6-naphthyridine;methane
SMILESC.CN1CCN(c2ccc(-c3cc4ncccc4c(Cl)n3)cc2)CC1.COc1cc(-c2cc3ncccc3c(Cl)n2)ccc1N1CCCCC1.Cc1cc(-c2cc3ncccc3c(Cl)n2)ccc1N1CCCCC1.Clc1nc(-c2ccc(N3CCCCC3)c(Br)c2)cc2ncccc12.Clc1nc(-c2ccc(N3CCCCC3)cc2)cc2ncccc12
InChIInChI=1S/C20H20ClN3O.C20H20ClN3.C19H17BrClN3.C19H19ClN4.C19H18ClN3.CH4/c1-25-19-12-14(7-8-18(19)24-10-3-2-4-11-24)16-13-17-15(20(21)23-16)6-5-9-22-17;1-14-12-15(7-8-19(14)24-10-3-2-4-11-24)17-13-18-16(20(21)23-17)6-5-9-22-18;20-15-11-13(6-7-18(15)24-9-2-1-3-10-24)16-12-17-14(19(21)23-16)5-4-8-22-17;1-23-9-11-24(12-10-23)15-6-4-14(5-7-15)17-13-18-16(19(20)22-17)3-2-8-21-18;20-19-16-5-4-10-21-18(16)13-17(22-19)14-6-8-15(9-7-14)23-11-2-1-3-12-23;/h5-9,12-13H,2-4,10-11H2,1H3;5-9,12-13H,2-4,10-11H2,1H3;4-8,11-12H,1-3,9-10H2;2-8,13H,9-12H2,1H3;4-10,13H,1-3,11-12H2;1H4
InChIKeyUFODEOLYYNYGGD-UHFFFAOYSA-N
MW1773.14 g/mol
LogP25.18
Rot. Bonds11

About 7-(3-bromo-4-piperidin-1-ylphenyl)-5-chloro-1,6-naphthyridine;5-chloro-7-(3-methoxy-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine;5-chloro-7-(3-methyl-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-(4-piperidin-1-ylphenyl)-1,6-naphthyridine;methane

7-(3-bromo-4-piperidin-1-ylphenyl)-5-chloro-1,6-naphthyridine;5-chloro-7-(3-methoxy-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine;5-chloro-7-(3-methyl-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-(4-piperidin-1-ylphenyl)-1,6-naphthyridine;methane (PubChem CID 161078159) has the molecular formula C98H98BrCl5N16O and a molecular weight of 1773.14 g/mol. Its IUPAC name is 7-(3-bromo-4-piperidin-1-ylphenyl)-5-chloro-1,6-naphthyridine;5-chloro-7-(3-methoxy-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine;5-chloro-7-(3-methyl-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-(4-piperidin-1-ylphenyl)-1,6-naphthyridine;methane.

Molecular Properties

Compound Name7-(3-bromo-4-piperidin-1-ylphenyl)-5-chloro-1,6-naphthyridine;5-chloro-7-(3-methoxy-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine;5-chloro-7-(3-methyl-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-(4-piperidin-1-ylphenyl)-1,6-naphthyridine;methane
PubChem CID161078159
Molecular FormulaC98H98BrCl5N16O
Molecular Weight1773.14 g/mol
Exact Mass1768.57
IUPAC Name7-(3-bromo-4-piperidin-1-ylphenyl)-5-chloro-1,6-naphthyridine;5-chloro-7-(3-methoxy-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine;5-chloro-7-(3-methyl-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-(4-piperidin-1-ylphenyl)-1,6-naphthyridine;methane
SMILESC.CN1CCN(c2ccc(-c3cc4ncccc4c(Cl)n3)cc2)CC1.COc1cc(-c2cc3ncccc3c(Cl)n2)ccc1N1CCCCC1.Cc1cc(-c2cc3ncccc3c(Cl)n2)ccc1N1CCCCC1.Clc1nc(-c2ccc(N3CCCCC3)c(Br)c2)cc2ncccc12.Clc1nc(-c2ccc(N3CCCCC3)cc2)cc2ncccc12
InChIInChI=1S/C20H20ClN3O.C20H20ClN3.C19H17BrClN3.C19H19ClN4.C19H18ClN3.CH4/c1-25-19-12-14(7-8-18(19)24-10-3-2-4-11-24)16-13-17-15(20(21)23-16)6-5-9-22-17;1-14-12-15(7-8-19(14)24-10-3-2-4-11-24)17-13-18-16(20(21)23-17)6-5-9-22-18;20-15-11-13(6-7-18(15)24-9-2-1-3-10-24)16-12-17-14(19(21)23-16)5-4-8-22-17;1-23-9-11-24(12-10-23)15-6-4-14(5-7-15)17-13-18-16(19(20)22-17)3-2-8-21-18;20-19-16-5-4-10-21-18(16)13-17(22-19)14-6-8-15(9-7-14)23-11-2-1-3-12-23;/h5-9,12-13H,2-4,10-11H2,1H3;5-9,12-13H,2-4,10-11H2,1H3;4-8,11-12H,1-3,9-10H2;2-8,13H,9-12H2,1H3;4-10,13H,1-3,11-12H2;1H4
InChIKeyUFODEOLYYNYGGD-UHFFFAOYSA-N
XLogP25.18
TPSA157.57 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001773.14
LogP ≤ 525.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 7-(3-bromo-4-piperidin-1-ylphenyl)-5-chloro-1,6-naphthyridine;5-chloro-7-(3-methoxy-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine;5-chloro-7-(3-methyl-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-(4-piperidin-1-ylphenyl)-1,6-naphthyridine;methane with MolForge

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Related Compounds

8-Bromo-4-methyl-6-propan-2-ylquinoline;8-chloro-4,5-dimethyl-6-propan-2-ylquinoline;8-chloro-5-methyl-4,6-di(propan-2-yl)quinoline;4-chloro-8-methyl-6-propan-2-ylquinoline;8-chloro-4-methyl-6-propan-2-ylquinoline;8-chloro-5-methyl-6-propan-2-ylquinoline;8-chloro-5-methyl-6-propan-2-yl-4-(trifluoromethyl)quinoline;8-chloro-2,4,5-trimethyl-6-propan-2-ylquinoline;4,8-dimethyl-6-propan-2-ylquinoline;8-methoxy-4-methyl-6-propan-2-ylquinoline;4-methoxy-6-propan-2-ylquinoline;4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline
CID 157425637
8-Bromo-6-propan-2-ylquinoline;8-chloro-2,4-dimethyl-6-propan-2-ylquinoline;8-chloro-4,6-di(propan-2-yl)quinoline;8-chloro-6-propan-2-yl-4-(trifluoromethyl)quinoline;4,8-dimethyl-6-propan-2-ylquinoline;4-methoxy-6-propan-2-ylquinoline;8-methoxy-6-propan-2-ylquinoline;4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoxaline
CID 160971469
8-Bromo-6-propan-2-ylquinoline;8-chloro-2,4-dimethyl-6-propan-2-ylquinoline;8-chloro-4,5-dimethyl-6-propan-2-ylquinoline;8-chloro-4,6-di(propan-2-yl)quinoline;4-chloro-8-methyl-6-propan-2-ylquinoline;8-chloro-4-methyl-6-propan-2-ylquinoline;8-chloro-5-methyl-6-propan-2-ylquinoline;8-chloro-6-propan-2-yl-4-(trifluoromethyl)quinoline;4,8-dimethyl-6-propan-2-ylquinoline;4-methoxy-6-propan-2-ylquinoline;8-methoxy-6-propan-2-ylquinoline;4-methyl-6-propan-2-ylquinoline;5-methyl-6-propan-2-ylquinoline;7-methyl-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;3-propan-2-ylquinoline
CID 167646130
Potassium;3-bromo-6-phenylmethoxyquinoline;1-ethyl-4-methylpiperazine;6-methyl-3-[(4-methylpiperazin-1-yl)methyl]quinoline;3-[(4-methylpiperazin-1-yl)methyl]-6-phenylmethoxyquinoline;3-[(4-methylpiperazin-1-yl)methyl]quinolin-6-ol
CID 157499905
5-bromo-2-(3-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(3-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline
CID 159030186
2-[(E)-2-(2-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-6-methoxyquinoline;6-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinoline;6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinoline
CID 159439391
5-Bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[4-(2-bromophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline
CID 159716879
6-Bromo-4-chloroquinoline;4-chloro-6-ethenylquinoline;4-chloro-6-methoxyquinoline;6-methoxy-4-pyridin-4-ylquinoline
CID 160522057
5-Bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline
CID 160866444
8-Bromo-3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-4-methoxyquinoline;(4-cyanophenyl)boronic acid;3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-8-(4-isocyanophenyl)-4-methoxyquinoline
CID 162182598
2-[2-[2-(2-aminoethoxy)ethyl-methylamino]ethoxy]ethanamine;4-bromo-7-chloroquinoline;6-chloro-N-[2-[2-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethoxy]ethyl-methylamino]ethoxy]ethyl]-2-methylacridin-9-amine;7-chloro-N-[2-[2-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl-methylamino]ethoxy]ethyl]quinolin-4-amine;6,9-dichloro-2-methylacridine;palladium
CID 167653970

Frequently Asked Questions

What is the IUPAC name of 7-(3-bromo-4-piperidin-1-ylphenyl)-5-chloro-1,6-naphthyridine;5-chloro-7-(3-methoxy-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine;5-chloro-7-(3-methyl-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-(4-piperidin-1-ylphenyl)-1,6-naphthyridine;methane?
The IUPAC name of 7-(3-bromo-4-piperidin-1-ylphenyl)-5-chloro-1,6-naphthyridine;5-chloro-7-(3-methoxy-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine;5-chloro-7-(3-methyl-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-(4-piperidin-1-ylphenyl)-1,6-naphthyridine;methane (CID 161078159) is 7-(3-bromo-4-piperidin-1-ylphenyl)-5-chloro-1,6-naphthyridine;5-chloro-7-(3-methoxy-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine;5-chloro-7-(3-methyl-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-(4-piperidin-1-ylphenyl)-1,6-naphthyridine;methane.
What is the SMILES notation for 7-(3-bromo-4-piperidin-1-ylphenyl)-5-chloro-1,6-naphthyridine;5-chloro-7-(3-methoxy-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine;5-chloro-7-(3-methyl-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-(4-piperidin-1-ylphenyl)-1,6-naphthyridine;methane?
The canonical SMILES for 7-(3-bromo-4-piperidin-1-ylphenyl)-5-chloro-1,6-naphthyridine;5-chloro-7-(3-methoxy-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine;5-chloro-7-(3-methyl-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-(4-piperidin-1-ylphenyl)-1,6-naphthyridine;methane is C.CN1CCN(c2ccc(-c3cc4ncccc4c(Cl)n3)cc2)CC1.COc1cc(-c2cc3ncccc3c(Cl)n2)ccc1N1CCCCC1.Cc1cc(-c2cc3ncccc3c(Cl)n2)ccc1N1CCCCC1.Clc1nc(-c2ccc(N3CCCCC3)c(Br)c2)cc2ncccc12.Clc1nc(-c2ccc(N3CCCCC3)cc2)cc2ncccc12.
What is the InChIKey of 7-(3-bromo-4-piperidin-1-ylphenyl)-5-chloro-1,6-naphthyridine;5-chloro-7-(3-methoxy-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine;5-chloro-7-(3-methyl-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-(4-piperidin-1-ylphenyl)-1,6-naphthyridine;methane?
The InChIKey is UFODEOLYYNYGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O.C20H20ClN3.C19H17BrClN3.C19H19ClN4.C19H18ClN3.CH4/c1-25-19-12-14(7-8-18(19)24-10-3-2-4-11-24)16-13-17-15(20(21)23-16)6-5-9-22-17;1-14-12-15(7-8-19(14)24-10-3-2-4-11-24)17-13-18-16(20(21)23-17)6-5-9-22-18;20-15-11-13(6-7-18(15)24-9-2-1-3-10-24)16-12-17-14(19(21)23-16)5-4-8-22-17;1-23-9-11-24(12-10-23)15-6-4-14(5-7-15)17-13-18-16(19(20)22-17)3-2-8-21-18;20-19-16-5-4-10-21-18(16)13-17(22-19)14-6-8-15(9-7-14)23-11-2-1-3-12-23;/h5-9,12-13H,2-4,10-11H2,1H3;5-9,12-13H,2-4,10-11H2,1H3;4-8,11-12H,1-3,9-10H2;2-8,13H,9-12H2,1H3;4-10,13H,1-3,11-12H2;1H4.
What are the key properties of 7-(3-bromo-4-piperidin-1-ylphenyl)-5-chloro-1,6-naphthyridine;5-chloro-7-(3-methoxy-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine;5-chloro-7-(3-methyl-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-(4-piperidin-1-ylphenyl)-1,6-naphthyridine;methane?
7-(3-bromo-4-piperidin-1-ylphenyl)-5-chloro-1,6-naphthyridine;5-chloro-7-(3-methoxy-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine;5-chloro-7-(3-methyl-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-(4-piperidin-1-ylphenyl)-1,6-naphthyridine;methane has a molecular weight of 1773.14 g/mol, XLogP of 25.18, 11 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromo-4-piperidin-1-ylphenyl)-5-chloro-1,6-naphthyridine;5-chloro-7-(3-methoxy-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine;5-chloro-7-(3-methyl-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-(4-piperidin-1-ylphenyl)-1,6-naphthyridine;methane is sourced from PubChem (CID 161078159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).