(6-methoxyisoquinolin-1-yl) hydrogen carbonate

C11H9NO4 — CID 70843477

IUPAC(6-methoxyisoquinolin-1-yl) hydrogen carbonate
SMILESCOc1ccc2c(OC(=O)O)nccc2c1
InChIInChI=1S/C11H9NO4/c1-15-8-2-3-9-7(6-8)4-5-12-10(9)16-11(13)14/h2-6H,1H3,(H,13,14)
InChIKeyNRMONDVHOQPYML-UHFFFAOYSA-N
MW219.20 g/mol
LogP2.30
Rot. Bonds2

About (6-methoxyisoquinolin-1-yl) hydrogen carbonate

(6-methoxyisoquinolin-1-yl) hydrogen carbonate (PubChem CID 70843477) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is (6-methoxyisoquinolin-1-yl) hydrogen carbonate.

Molecular Properties

Compound Name(6-methoxyisoquinolin-1-yl) hydrogen carbonate
PubChem CID70843477
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name(6-methoxyisoquinolin-1-yl) hydrogen carbonate
SMILESCOc1ccc2c(OC(=O)O)nccc2c1
InChIInChI=1S/C11H9NO4/c1-15-8-2-3-9-7(6-8)4-5-12-10(9)16-11(13)14/h2-6H,1H3,(H,13,14)
InChIKeyNRMONDVHOQPYML-UHFFFAOYSA-N
XLogP2.30
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid
CID 106541785
1-(4-iodophenoxy)-6-methoxyisoquinoline
CID 106536960
[4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541265
2-(6-methoxyisoquinolin-1-yl)-2-(methylamino)acetic acid
CID 116995460
3-(6-methoxyisoquinolin-1-yl)-2-methylpropanoic acid
CID 116995409
2-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid
CID 82571597
(S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol
CID 125482431
1-chloro-6-methoxyisoquinoline;ethane
CID 91465219
1-[(2S,4R)-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-2-yl]ethanone
CID 144619719
2-(6-methoxyisoquinolin-1-yl)propan-2-ol
CID 116995429
[3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541270
(4-methoxyphenyl) hydrogen carbonate
CID 19016633

Frequently Asked Questions

What is the IUPAC name of (6-methoxyisoquinolin-1-yl) hydrogen carbonate?
The IUPAC name of (6-methoxyisoquinolin-1-yl) hydrogen carbonate (CID 70843477) is (6-methoxyisoquinolin-1-yl) hydrogen carbonate.
What is the SMILES notation for (6-methoxyisoquinolin-1-yl) hydrogen carbonate?
The canonical SMILES for (6-methoxyisoquinolin-1-yl) hydrogen carbonate is COc1ccc2c(OC(=O)O)nccc2c1.
What is the InChIKey of (6-methoxyisoquinolin-1-yl) hydrogen carbonate?
The InChIKey is NRMONDVHOQPYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-15-8-2-3-9-7(6-8)4-5-12-10(9)16-11(13)14/h2-6H,1H3,(H,13,14).
What are the key properties of (6-methoxyisoquinolin-1-yl) hydrogen carbonate?
(6-methoxyisoquinolin-1-yl) hydrogen carbonate has a molecular weight of 219.20 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxyisoquinolin-1-yl) hydrogen carbonate is sourced from PubChem (CID 70843477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).