[2-(2-methoxyquinolin-3-yl)-2-oxoethyl]carbamic acid

C13H12N2O4 — CID 90036427

IUPAC[2-(2-methoxyquinolin-3-yl)-2-oxoethyl]carbamic acid
SMILESCOc1nc2ccccc2cc1C(=O)CNC(=O)O
InChIInChI=1S/C13H12N2O4/c1-19-12-9(11(16)7-14-13(17)18)6-8-4-2-3-5-10(8)15-12/h2-6,14H,7H2,1H3,(H,17,18)
InChIKeyYCDSAHWUNUULBP-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.69
Rot. Bonds4

About [2-(2-methoxyquinolin-3-yl)-2-oxoethyl]carbamic acid

[2-(2-methoxyquinolin-3-yl)-2-oxoethyl]carbamic acid (PubChem CID 90036427) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is [2-(2-methoxyquinolin-3-yl)-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name[2-(2-methoxyquinolin-3-yl)-2-oxoethyl]carbamic acid
PubChem CID90036427
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name[2-(2-methoxyquinolin-3-yl)-2-oxoethyl]carbamic acid
SMILESCOc1nc2ccccc2cc1C(=O)CNC(=O)O
InChIInChI=1S/C13H12N2O4/c1-19-12-9(11(16)7-14-13(17)18)6-8-4-2-3-5-10(8)15-12/h2-6,14H,7H2,1H3,(H,17,18)
InChIKeyYCDSAHWUNUULBP-UHFFFAOYSA-N
XLogP1.69
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(2-methoxyquinolin-3-yl)-2-oxoethyl]carbamic acid 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-amino-1-(2-methoxyquinolin-3-yl)ethanone
CID 90036655
(2-methoxyquinolin-3-yl) hydrogen carbonate
CID 70529555
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid
CID 79670055
N-ethyl-1-(2-methoxyquinoline-3-carbonyl)piperidine-3-carboxamide
CID 155959941
methyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate
CID 166457894
1-[2-methoxy-6-[3-(methoxymethyl)quinolin-2-yl]-3-methyl-4-pyridinyl]propan-1-one
CID 10970160
2-(3-methylphenoxy)quinoline-3-carboxylic acid
CID 28952515
methyl acridine-1-carboxylate
CID 54560619
(E)-3-(2-methoxyquinolin-3-yl)prop-2-enoate
CID 7042099
2-methoxy-3-phenylmethoxyquinoline
CID 154390747
4-tert-butyl-N-(2-methoxyquinolin-3-yl)benzamide
CID 66815726
2-aminoquinoline-3-carboxylic acid;ethyl 2-aminoquinoline-3-carboxylate
CID 161289500

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyquinolin-3-yl)-2-oxoethyl]carbamic acid?
The IUPAC name of [2-(2-methoxyquinolin-3-yl)-2-oxoethyl]carbamic acid (CID 90036427) is [2-(2-methoxyquinolin-3-yl)-2-oxoethyl]carbamic acid.
What is the SMILES notation for [2-(2-methoxyquinolin-3-yl)-2-oxoethyl]carbamic acid?
The canonical SMILES for [2-(2-methoxyquinolin-3-yl)-2-oxoethyl]carbamic acid is COc1nc2ccccc2cc1C(=O)CNC(=O)O.
What is the InChIKey of [2-(2-methoxyquinolin-3-yl)-2-oxoethyl]carbamic acid?
The InChIKey is YCDSAHWUNUULBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-19-12-9(11(16)7-14-13(17)18)6-8-4-2-3-5-10(8)15-12/h2-6,14H,7H2,1H3,(H,17,18).
What are the key properties of [2-(2-methoxyquinolin-3-yl)-2-oxoethyl]carbamic acid?
[2-(2-methoxyquinolin-3-yl)-2-oxoethyl]carbamic acid has a molecular weight of 260.25 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyquinolin-3-yl)-2-oxoethyl]carbamic acid is sourced from PubChem (CID 90036427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).