[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]carbamic acid

C15H16N2O4 — CID 146586192

IUPAC[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]carbamic acid
SMILESO=C(O)Nc1ccc2c(OCC3CCOC3)nccc2c1
InChIInChI=1S/C15H16N2O4/c18-15(19)17-12-1-2-13-11(7-12)3-5-16-14(13)21-9-10-4-6-20-8-10/h1-3,5,7,10,17H,4,6,8-9H2,(H,18,19)
InChIKeyMGOXYKHBNIPYLZ-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.74
Rot. Bonds4

About [1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]carbamic acid

[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]carbamic acid (PubChem CID 146586192) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is [1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]carbamic acid.

Molecular Properties

Compound Name[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]carbamic acid
PubChem CID146586192
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]carbamic acid
SMILESO=C(O)Nc1ccc2c(OCC3CCOC3)nccc2c1
InChIInChI=1S/C15H16N2O4/c18-15(19)17-12-1-2-13-11(7-12)3-5-16-14(13)21-9-10-4-6-20-8-10/h1-3,5,7,10,17H,4,6,8-9H2,(H,18,19)
InChIKeyMGOXYKHBNIPYLZ-UHFFFAOYSA-N
XLogP2.74
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]carbamic acid?
The IUPAC name of [1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]carbamic acid (CID 146586192) is [1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]carbamic acid.
What is the SMILES notation for [1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]carbamic acid?
The canonical SMILES for [1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]carbamic acid is O=C(O)Nc1ccc2c(OCC3CCOC3)nccc2c1.
What is the InChIKey of [1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]carbamic acid?
The InChIKey is MGOXYKHBNIPYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-15(19)17-12-1-2-13-11(7-12)3-5-16-14(13)21-9-10-4-6-20-8-10/h1-3,5,7,10,17H,4,6,8-9H2,(H,18,19).
What are the key properties of [1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]carbamic acid?
[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]carbamic acid has a molecular weight of 288.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]carbamic acid is sourced from PubChem (CID 146586192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).