4-[(5-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid

C15H16N2O4 — CID 106536285

IUPAC4-[(5-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid
SMILESCOc1cccc2c(NC3COCC3C(=O)O)nccc12
InChIInChI=1S/C15H16N2O4/c1-20-13-4-2-3-10-9(13)5-6-16-14(10)17-12-8-21-7-11(12)15(18)19/h2-6,11-12H,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyFBHWEVPWAJYATA-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.75
Rot. Bonds4

About 4-[(5-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid

4-[(5-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid (PubChem CID 106536285) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-[(5-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid
PubChem CID106536285
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-[(5-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid
SMILESCOc1cccc2c(NC3COCC3C(=O)O)nccc12
InChIInChI=1S/C15H16N2O4/c1-20-13-4-2-3-10-9(13)5-6-16-14(10)17-12-8-21-7-11(12)15(18)19/h2-6,11-12H,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyFBHWEVPWAJYATA-UHFFFAOYSA-N
XLogP1.75
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine
CID 106538850
5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine
CID 106538566
N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
2-N-(5-methoxyisoquinolin-1-yl)cyclohexane-1,2-diamine
CID 106540400
2-cyclopropyl-2-[(5-methoxyisoquinolin-1-yl)amino]acetic acid
CID 106536125
4-[(3-ethoxycarbonyl-2-pyridinyl)amino]oxolane-3-carboxylic acid
CID 66241100
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537339
4-[(4-methyl-3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid
CID 66241505
N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine
CID 106538942
5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine
CID 106537508
4-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid
CID 66241293
2-[(5-methoxyisoquinolin-1-yl)amino]-2-methylbutanoic acid
CID 106536335

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid (CID 106536285) is 4-[(5-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid is COc1cccc2c(NC3COCC3C(=O)O)nccc12.
What is the InChIKey of 4-[(5-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is FBHWEVPWAJYATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-13-4-2-3-10-9(13)5-6-16-14(10)17-12-8-21-7-11(12)15(18)19/h2-6,11-12H,7-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[(5-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid?
4-[(5-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 106536285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).