(2-methylquinolin-3-yl) hydrogen carbonate

C11H9NO3 — CID 70380848

IUPAC(2-methylquinolin-3-yl) hydrogen carbonate
SMILESCc1nc2ccccc2cc1OC(=O)O
InChIInChI=1S/C11H9NO3/c1-7-10(15-11(13)14)6-8-4-2-3-5-9(8)12-7/h2-6H,1H3,(H,13,14)
InChIKeyRAFBJOWGRIXHBG-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.60
Rot. Bonds1

About (2-methylquinolin-3-yl) hydrogen carbonate

(2-methylquinolin-3-yl) hydrogen carbonate (PubChem CID 70380848) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is (2-methylquinolin-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-methylquinolin-3-yl) hydrogen carbonate
PubChem CID70380848
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name(2-methylquinolin-3-yl) hydrogen carbonate
SMILESCc1nc2ccccc2cc1OC(=O)O
InChIInChI=1S/C11H9NO3/c1-7-10(15-11(13)14)6-8-4-2-3-5-9(8)12-7/h2-6H,1H3,(H,13,14)
InChIKeyRAFBJOWGRIXHBG-UHFFFAOYSA-N
XLogP2.60
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-methylquinolin-3-yl) hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methoxyquinolin-3-yl) hydrogen carbonate
CID 70529555
(2-ethoxyquinolin-3-yl) hydrogen carbonate
CID 70534566
(2-chloroquinolin-3-yl) acetate
CID 175423972
3-tert-butyl-2-methylquinoline
CID 89390827
acridin-9-yl hydrogen carbonate
CID 54493221
(4-methoxyquinolin-2-yl) hydrogen carbonate
CID 70267248
[2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate
CID 70367689
ethyl (6-methylphenanthridin-8-yl) carbonate
CID 131861123
3-(8-carboxy-2-methylquinolin-3-yl)oxy-2-methylquinoline-8-carboxylic acid
CID 159563478
(3-methylquinolin-2-yl)urea
CID 141055729
8,9-dimethoxy-6-methylphenanthridine
CID 135040288
acridine;ethane
CID 123684759

Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-3-yl) hydrogen carbonate?
The IUPAC name of (2-methylquinolin-3-yl) hydrogen carbonate (CID 70380848) is (2-methylquinolin-3-yl) hydrogen carbonate.
What is the SMILES notation for (2-methylquinolin-3-yl) hydrogen carbonate?
The canonical SMILES for (2-methylquinolin-3-yl) hydrogen carbonate is Cc1nc2ccccc2cc1OC(=O)O.
What is the InChIKey of (2-methylquinolin-3-yl) hydrogen carbonate?
The InChIKey is RAFBJOWGRIXHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-7-10(15-11(13)14)6-8-4-2-3-5-9(8)12-7/h2-6H,1H3,(H,13,14).
What are the key properties of (2-methylquinolin-3-yl) hydrogen carbonate?
(2-methylquinolin-3-yl) hydrogen carbonate has a molecular weight of 203.20 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-3-yl) hydrogen carbonate is sourced from PubChem (CID 70380848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).