7-(3,4-difluoro-5-methoxyphenyl)-8-methyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid

C17H16F2N2O3 — CID 139320932

IUPAC7-(3,4-difluoro-5-methoxyphenyl)-8-methyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
SMILESCOc1cc(N2CCc3cc(C(=O)O)ncc3C2C)cc(F)c1F
InChIInChI=1S/C17H16F2N2O3/c1-9-12-8-20-14(17(22)23)5-10(12)3-4-21(9)11-6-13(18)16(19)15(7-11)24-2/h5-9H,3-4H2,1-2H3,(H,22,23)
InChIKeyJJRQPWWWFSORCN-UHFFFAOYSA-N
MW334.32 g/mol
LogP3.19
Rot. Bonds3

About 7-(3,4-difluoro-5-methoxyphenyl)-8-methyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid

7-(3,4-difluoro-5-methoxyphenyl)-8-methyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid (PubChem CID 139320932) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is 7-(3,4-difluoro-5-methoxyphenyl)-8-methyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(3,4-difluoro-5-methoxyphenyl)-8-methyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
PubChem CID139320932
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name7-(3,4-difluoro-5-methoxyphenyl)-8-methyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
SMILESCOc1cc(N2CCc3cc(C(=O)O)ncc3C2C)cc(F)c1F
InChIInChI=1S/C17H16F2N2O3/c1-9-12-8-20-14(17(22)23)5-10(12)3-4-21(9)11-6-13(18)16(19)15(7-11)24-2/h5-9H,3-4H2,1-2H3,(H,22,23)
InChIKeyJJRQPWWWFSORCN-UHFFFAOYSA-N
XLogP3.19
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3,4-difluoro-5-methoxyphenyl)-8-methyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid with MolForge

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Related Compounds

(5R)-6-(3,4-difluoro-5-methoxyphenyl)-5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(5S)-6-(3,4-difluoro-5-methoxyphenyl)-5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 158354926
7-(3,4-difluoro-5-methoxyphenyl)-N-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
CID 139320885
2-(3-ethyl-5-methoxy-4-pyridin-4-ylphenyl)-1-methyl-6-nitroso-3,4-dihydro-1H-2,7-naphthyridine
CID 122681142
6-[3-(difluoromethoxy)-4,5-difluorophenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669949
tert-butyl-[6-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]hexyl]carbamic acid
CID 138683279
6-[3,4-difluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669880
2-(3,4-difluoro-5-methoxyphenyl)-6-methoxy-3,4-dihydro-1H-2,7-naphthyridine
CID 121456143
6-[3,4-difluoro-5-[2-(oxolan-3-yl)ethoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669939
1-(6,7-dimethoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-3,3-dimethylbutan-2-one
CID 135000084
1-[3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]propyl]imidazolidin-2-one
CID 122669657
CID 67026980
CID 67026980
3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]-N-[dihydroxy(2-methoxyethyl)-λ4-sulfanyl]propan-1-amine
CID 163496729

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-difluoro-5-methoxyphenyl)-8-methyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(3,4-difluoro-5-methoxyphenyl)-8-methyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid (CID 139320932) is 7-(3,4-difluoro-5-methoxyphenyl)-8-methyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(3,4-difluoro-5-methoxyphenyl)-8-methyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(3,4-difluoro-5-methoxyphenyl)-8-methyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid is COc1cc(N2CCc3cc(C(=O)O)ncc3C2C)cc(F)c1F.
What is the InChIKey of 7-(3,4-difluoro-5-methoxyphenyl)-8-methyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The InChIKey is JJRQPWWWFSORCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-9-12-8-20-14(17(22)23)5-10(12)3-4-21(9)11-6-13(18)16(19)15(7-11)24-2/h5-9H,3-4H2,1-2H3,(H,22,23).
What are the key properties of 7-(3,4-difluoro-5-methoxyphenyl)-8-methyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
7-(3,4-difluoro-5-methoxyphenyl)-8-methyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid has a molecular weight of 334.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-difluoro-5-methoxyphenyl)-8-methyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 139320932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).