2-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid

C20H20N2O5 — CID 120535137

IUPAC2-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CN(C(=O)c1ccnc(OC3CCOC3)c1)CC2
InChIInChI=1S/C20H20N2O5/c23-19(14-3-6-21-18(10-14)27-17-5-8-26-12-17)22-7-4-13-1-2-15(20(24)25)9-16(13)11-22/h1-3,6,9-10,17H,4-5,7-8,11-12H2,(H,24,25)
InChIKeyOXZVHKBODSAUFM-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.15
Rot. Bonds4

About 2-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid

2-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid (PubChem CID 120535137) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid.

Molecular Properties

Compound Name2-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
PubChem CID120535137
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CN(C(=O)c1ccnc(OC3CCOC3)c1)CC2
InChIInChI=1S/C20H20N2O5/c23-19(14-3-6-21-18(10-14)27-17-5-8-26-12-17)22-7-4-13-1-2-15(20(24)25)9-16(13)11-22/h1-3,6,9-10,17H,4-5,7-8,11-12H2,(H,24,25)
InChIKeyOXZVHKBODSAUFM-UHFFFAOYSA-N
XLogP2.15
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyclobutyloxypyridine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 120535066
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
[2-(oxolan-3-yloxy)-4-pyridinyl]-(3-phenylmorpholin-4-yl)methanone
CID 127840607
3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 120529740
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
[(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone
CID 99854488
N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 166214316
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120525990
[(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone
CID 124617175
N-(3,3-diphenylpropyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815243

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid?
The IUPAC name of 2-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid (CID 120535137) is 2-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid.
What is the SMILES notation for 2-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid?
The canonical SMILES for 2-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid is O=C(O)c1ccc2c(c1)CN(C(=O)c1ccnc(OC3CCOC3)c1)CC2.
What is the InChIKey of 2-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid?
The InChIKey is OXZVHKBODSAUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c23-19(14-3-6-21-18(10-14)27-17-5-8-26-12-17)22-7-4-13-1-2-15(20(24)25)9-16(13)11-22/h1-3,6,9-10,17H,4-5,7-8,11-12H2,(H,24,25).
What are the key properties of 2-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid?
2-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid has a molecular weight of 368.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid is sourced from PubChem (CID 120535137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).