3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane

C22H24ClN3O3 — CID 135180259

IUPAC3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(C)cc3c(N3CCCOC3)n2)c1C
InChIInChI=1S/C22H24ClN3O3/c1-13-8-16-15(11-24-13)9-17(25-22(16)26-6-5-7-29-12-26)20-14(2)18(27-3)10-19(28-4)21(20)23/h8-11H,5-7,12H2,1-4H3
InChIKeyYBTXUPMKRXDSGP-UHFFFAOYSA-N
MW413.91 g/mol
LogP4.77
Rot. Bonds4

About 3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane

3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane (PubChem CID 135180259) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is 3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane.

Molecular Properties

Compound Name3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane
PubChem CID135180259
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(C)cc3c(N3CCCOC3)n2)c1C
InChIInChI=1S/C22H24ClN3O3/c1-13-8-16-15(11-24-13)9-17(25-22(16)26-6-5-7-29-12-26)20-14(2)18(27-3)10-19(28-4)21(20)23/h8-11H,5-7,12H2,1-4H3
InChIKeyYBTXUPMKRXDSGP-UHFFFAOYSA-N
XLogP4.77
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine
CID 142381099
4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine
CID 135181397
1-(3-azabicyclo[3.1.0]hexan-3-yl)-7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine
CID 139395439
1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridin-1-yl]piperidin-4-ol
CID 139395841
3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(oxan-4-yl)-2,6-naphthyridin-1-amine
CID 135180642
3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(1-methylpyrrolidin-3-yl)-2,6-naphthyridin-1-amine
CID 135181139
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 135179837
3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane
CID 142381022
3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(3,3-dimethylpyrrolidin-1-yl)-7-methyl-2,6-naphthyridine
CID 139395827
7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(3-methoxyazetidin-1-yl)-2,6-naphthyridine
CID 139385138
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine
CID 139395802
3-chloro-7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine
CID 135181041

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane?
The IUPAC name of 3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane (CID 135180259) is 3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane.
What is the SMILES notation for 3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane?
The canonical SMILES for 3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane is COc1cc(OC)c(Cl)c(-c2cc3cnc(C)cc3c(N3CCCOC3)n2)c1C.
What is the InChIKey of 3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane?
The InChIKey is YBTXUPMKRXDSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-13-8-16-15(11-24-13)9-17(25-22(16)26-6-5-7-29-12-26)20-14(2)18(27-3)10-19(28-4)21(20)23/h8-11H,5-7,12H2,1-4H3.
What are the key properties of 3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane?
3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane has a molecular weight of 413.91 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane is sourced from PubChem (CID 135180259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).