3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine

C21H21Cl2N3O2 — CID 142381099

IUPAC3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(C)cc3c(N3CCCC3)n2)c1Cl
InChIInChI=1S/C21H21Cl2N3O2/c1-12-8-14-13(11-24-12)9-15(25-21(14)26-6-4-5-7-26)18-19(22)16(27-2)10-17(28-3)20(18)23/h8-11H,4-7H2,1-3H3
InChIKeyPPQXPIDJZPMRBA-UHFFFAOYSA-N
MW418.32 g/mol
LogP5.53
Rot. Bonds4

About 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine

3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine (PubChem CID 142381099) has the molecular formula C21H21Cl2N3O2 and a molecular weight of 418.32 g/mol. Its IUPAC name is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine.

Molecular Properties

Compound Name3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine
PubChem CID142381099
Molecular FormulaC21H21Cl2N3O2
Molecular Weight418.32 g/mol
Exact Mass417.10
IUPAC Name3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(C)cc3c(N3CCCC3)n2)c1Cl
InChIInChI=1S/C21H21Cl2N3O2/c1-12-8-14-13(11-24-12)9-15(25-21(14)26-6-4-5-7-26)18-19(22)16(27-2)10-17(28-3)20(18)23/h8-11H,4-7H2,1-3H3
InChIKeyPPQXPIDJZPMRBA-UHFFFAOYSA-N
XLogP5.53
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.32
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane
CID 135180259
4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine
CID 135181397
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 135179837
7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(3-methoxyazetidin-1-yl)-2,6-naphthyridine
CID 139385138
1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridin-1-yl]piperidin-4-ol
CID 139395841
8-(azetidin-1-yl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidine
CID 139385562
1-(3-azabicyclo[3.1.0]hexan-3-yl)-7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine
CID 139395439
N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 142381492
3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(3,3-dimethylpyrrolidin-1-yl)-7-methyl-2,6-naphthyridine
CID 139395827
7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)azetidin-1-yl]-2,6-naphthyridin-3-amine
CID 139395618
3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane
CID 142381022
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine
CID 139395802

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine?
The IUPAC name of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine (CID 142381099) is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine.
What is the SMILES notation for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine?
The canonical SMILES for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine is COc1cc(OC)c(Cl)c(-c2cc3cnc(C)cc3c(N3CCCC3)n2)c1Cl.
What is the InChIKey of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine?
The InChIKey is PPQXPIDJZPMRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O2/c1-12-8-14-13(11-24-12)9-15(25-21(14)26-6-4-5-7-26)18-19(22)16(27-2)10-17(28-3)20(18)23/h8-11H,4-7H2,1-3H3.
What are the key properties of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine?
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine has a molecular weight of 418.32 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine is sourced from PubChem (CID 142381099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).