2-[5-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-2-oxo-1-pyridinyl]pyridine-4-carboxylic acid

C27H27N3O5 — CID 22344197

IUPAC2-[5-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-2-oxo-1-pyridinyl]pyridine-4-carboxylic acid
SMILESCOc1cc2c(c3c1OC(C)(C)C3)C(c1ccc(=O)n(-c3cc(C(=O)O)ccn3)c1)=NC(C)(C)C2
InChIInChI=1S/C27H27N3O5/c1-26(2)12-17-10-19(34-5)24-18(13-27(3,4)35-24)22(17)23(29-26)16-6-7-21(31)30(14-16)20-11-15(25(32)33)8-9-28-20/h6-11,14H,12-13H2,1-5H3,(H,32,33)
InChIKeyJDBAJVHEHUBFDJ-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.82
Rot. Bonds4

About 2-[5-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-2-oxo-1-pyridinyl]pyridine-4-carboxylic acid

2-[5-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-2-oxo-1-pyridinyl]pyridine-4-carboxylic acid (PubChem CID 22344197) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is 2-[5-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-2-oxo-1-pyridinyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-2-oxo-1-pyridinyl]pyridine-4-carboxylic acid
PubChem CID22344197
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC Name2-[5-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-2-oxo-1-pyridinyl]pyridine-4-carboxylic acid
SMILESCOc1cc2c(c3c1OC(C)(C)C3)C(c1ccc(=O)n(-c3cc(C(=O)O)ccn3)c1)=NC(C)(C)C2
InChIInChI=1S/C27H27N3O5/c1-26(2)12-17-10-19(34-5)24-18(13-27(3,4)35-24)22(17)23(29-26)16-6-7-21(31)30(14-16)20-11-15(25(32)33)8-9-28-20/h6-11,14H,12-13H2,1-5H3,(H,32,33)
InChIKeyJDBAJVHEHUBFDJ-UHFFFAOYSA-N
XLogP3.82
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-2-oxo-1-pyridinyl]pyridine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[[4-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-2-oxo-1-pyridinyl]methyl]benzoic acid
CID 22343762
2-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-methylpropanoic acid
CID 22343838
6-methoxy-3,3,8,8-tetramethyl-1-(4-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343946
6-methoxy-3,3,8,8-tetramethyl-1-(4-methylsulfinylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343852
methyl 2-(4-acetamidophenyl)-4-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)benzoate
CID 139959628
1-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]imidazolidin-2-one
CID 22344067
6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343794
1-(1,3-benzodioxol-5-yl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride
CID 22344037
2-amino-4-(6-ethoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)benzoic acid
CID 23076869
(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-phenylmethanone
CID 22344292
methyl 5-acetamido-2-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]benzoate
CID 139959683
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)benzamide
CID 22344223

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-2-oxo-1-pyridinyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-2-oxo-1-pyridinyl]pyridine-4-carboxylic acid (CID 22344197) is 2-[5-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-2-oxo-1-pyridinyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-2-oxo-1-pyridinyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-2-oxo-1-pyridinyl]pyridine-4-carboxylic acid is COc1cc2c(c3c1OC(C)(C)C3)C(c1ccc(=O)n(-c3cc(C(=O)O)ccn3)c1)=NC(C)(C)C2.
What is the InChIKey of 2-[5-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-2-oxo-1-pyridinyl]pyridine-4-carboxylic acid?
The InChIKey is JDBAJVHEHUBFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-26(2)12-17-10-19(34-5)24-18(13-27(3,4)35-24)22(17)23(29-26)16-6-7-21(31)30(14-16)20-11-15(25(32)33)8-9-28-20/h6-11,14H,12-13H2,1-5H3,(H,32,33).
What are the key properties of 2-[5-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-2-oxo-1-pyridinyl]pyridine-4-carboxylic acid?
2-[5-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-2-oxo-1-pyridinyl]pyridine-4-carboxylic acid has a molecular weight of 473.53 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-2-oxo-1-pyridinyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 22344197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).