2-(2-methoxy-4,6-dimethylphenyl)-7-pyrrolidin-3-yl-1,8-naphthyridine

C21H23N3O — CID 171085869

IUPAC2-(2-methoxy-4,6-dimethylphenyl)-7-pyrrolidin-3-yl-1,8-naphthyridine
SMILESCOc1cc(C)cc(C)c1-c1ccc2ccc(C3CCNC3)nc2n1
InChIInChI=1S/C21H23N3O/c1-13-10-14(2)20(19(11-13)25-3)18-7-5-15-4-6-17(23-21(15)24-18)16-8-9-22-12-16/h4-7,10-11,16,22H,8-9,12H2,1-3H3
InChIKeyJFXLGLOSYJORLO-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.00
Rot. Bonds3

About 2-(2-methoxy-4,6-dimethylphenyl)-7-pyrrolidin-3-yl-1,8-naphthyridine

2-(2-methoxy-4,6-dimethylphenyl)-7-pyrrolidin-3-yl-1,8-naphthyridine (PubChem CID 171085869) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(2-methoxy-4,6-dimethylphenyl)-7-pyrrolidin-3-yl-1,8-naphthyridine.

Molecular Properties

Compound Name2-(2-methoxy-4,6-dimethylphenyl)-7-pyrrolidin-3-yl-1,8-naphthyridine
PubChem CID171085869
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-(2-methoxy-4,6-dimethylphenyl)-7-pyrrolidin-3-yl-1,8-naphthyridine
SMILESCOc1cc(C)cc(C)c1-c1ccc2ccc(C3CCNC3)nc2n1
InChIInChI=1S/C21H23N3O/c1-13-10-14(2)20(19(11-13)25-3)18-7-5-15-4-6-17(23-21(15)24-18)16-8-9-22-12-16/h4-7,10-11,16,22H,8-9,12H2,1-3H3
InChIKeyJFXLGLOSYJORLO-UHFFFAOYSA-N
XLogP4.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine
CID 171085659
3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine
CID 82492093
6-[2-(difluoromethyl)-6-methoxy-4-methylphenyl]-3-piperidin-3-ylpyrido[2,3-b]pyrazine
CID 171085802
tert-butyl 4-hydroxy-3-[7-(2-methoxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]piperidine-1-carboxylate
CID 171085626
benzyl 4-[3-[7-(2-methoxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]piperidin-1-yl]butanoate
CID 171085658
2-chloro-7-(2-methoxy-4,6-dimethylphenyl)-4-methylpyrido[2,3-d]pyrimidine
CID 171085788
tert-butyl 4-[7-(2-methoxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]-2,3-dihydropyrrole-1-carboxylate
CID 171085455
2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine
CID 124702274
2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine
CID 171085729
2-[7-(3-hydroxy-3-methylcyclobutyl)-1,8-naphthyridin-2-yl]-3,5-dimethylphenol
CID 171085595
3-(4-bromo-3-methoxy-5-methylphenyl)pyrrolidine
CID 84808965
2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine
CID 106681385

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,6-dimethylphenyl)-7-pyrrolidin-3-yl-1,8-naphthyridine?
The IUPAC name of 2-(2-methoxy-4,6-dimethylphenyl)-7-pyrrolidin-3-yl-1,8-naphthyridine (CID 171085869) is 2-(2-methoxy-4,6-dimethylphenyl)-7-pyrrolidin-3-yl-1,8-naphthyridine.
What is the SMILES notation for 2-(2-methoxy-4,6-dimethylphenyl)-7-pyrrolidin-3-yl-1,8-naphthyridine?
The canonical SMILES for 2-(2-methoxy-4,6-dimethylphenyl)-7-pyrrolidin-3-yl-1,8-naphthyridine is COc1cc(C)cc(C)c1-c1ccc2ccc(C3CCNC3)nc2n1.
What is the InChIKey of 2-(2-methoxy-4,6-dimethylphenyl)-7-pyrrolidin-3-yl-1,8-naphthyridine?
The InChIKey is JFXLGLOSYJORLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-13-10-14(2)20(19(11-13)25-3)18-7-5-15-4-6-17(23-21(15)24-18)16-8-9-22-12-16/h4-7,10-11,16,22H,8-9,12H2,1-3H3.
What are the key properties of 2-(2-methoxy-4,6-dimethylphenyl)-7-pyrrolidin-3-yl-1,8-naphthyridine?
2-(2-methoxy-4,6-dimethylphenyl)-7-pyrrolidin-3-yl-1,8-naphthyridine has a molecular weight of 333.44 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,6-dimethylphenyl)-7-pyrrolidin-3-yl-1,8-naphthyridine is sourced from PubChem (CID 171085869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).