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

C23H27N3O — CID 171085659

IUPAC2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine
SMILESCOc1cc(C)cc(C)c1-c1ccc2ccc(C3CCCN(C)C3)nc2n1
InChIInChI=1S/C23H27N3O/c1-15-12-16(2)22(21(13-15)27-4)20-10-8-17-7-9-19(24-23(17)25-20)18-6-5-11-26(3)14-18/h7-10,12-13,18H,5-6,11,14H2,1-4H3
InChIKeyLBHFNECITAICPZ-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.73
Rot. Bonds3

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

2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine (PubChem CID 171085659) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine.

Molecular Properties

Compound Name2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine
PubChem CID171085659
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine
SMILESCOc1cc(C)cc(C)c1-c1ccc2ccc(C3CCCN(C)C3)nc2n1
InChIInChI=1S/C23H27N3O/c1-15-12-16(2)22(21(13-15)27-4)20-10-8-17-7-9-19(24-23(17)25-20)18-6-5-11-26(3)14-18/h7-10,12-13,18H,5-6,11,14H2,1-4H3
InChIKeyLBHFNECITAICPZ-UHFFFAOYSA-N
XLogP4.73
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-4,6-dimethylphenyl)-7-pyrrolidin-3-yl-1,8-naphthyridine
CID 171085869
benzyl 4-[3-[7-(2-methoxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]piperidin-1-yl]butanoate
CID 171085658
3-hydroxy-5-methyl-4-[7-(1-methylpiperidin-3-yl)-1,8-naphthyridin-2-yl]benzonitrile
CID 171085522
7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine
CID 171085518
methyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate
CID 171085704
tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate
CID 171085766
tert-butyl 4-hydroxy-3-[7-(2-methoxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]piperidine-1-carboxylate
CID 171085626
5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol
CID 171085866
tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-3-methyl-4-oxopyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carboxylate
CID 171085754
tert-butyl 4-[7-(2-methoxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]-2,3-dihydropyrrole-1-carboxylate
CID 171085455
6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine
CID 175867644
2-(2-methoxyphenyl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine
CID 95808900

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine?
The IUPAC name of 2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine (CID 171085659) is 2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine.
What is the SMILES notation for 2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine?
The canonical SMILES for 2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine is COc1cc(C)cc(C)c1-c1ccc2ccc(C3CCCN(C)C3)nc2n1.
What is the InChIKey of 2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine?
The InChIKey is LBHFNECITAICPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-15-12-16(2)22(21(13-15)27-4)20-10-8-17-7-9-19(24-23(17)25-20)18-6-5-11-26(3)14-18/h7-10,12-13,18H,5-6,11,14H2,1-4H3.
What are the key properties of 2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine?
2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine has a molecular weight of 361.49 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine is sourced from PubChem (CID 171085659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).