(1-methyl-2-oxoquinolin-4-yl) N-methylcarbamate

C12H12N2O3 — CID 2786360

IUPAC(1-methyl-2-oxoquinolin-4-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C12H12N2O3/c1-13-12(16)17-10-7-11(15)14(2)9-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,13,16)
InChIKeyDMZVERMOMSIYHZ-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.26
Rot. Bonds1

About (1-methyl-2-oxoquinolin-4-yl) N-methylcarbamate

(1-methyl-2-oxoquinolin-4-yl) N-methylcarbamate (PubChem CID 2786360) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is (1-methyl-2-oxoquinolin-4-yl) N-methylcarbamate.

Molecular Properties

Compound Name(1-methyl-2-oxoquinolin-4-yl) N-methylcarbamate
PubChem CID2786360
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name(1-methyl-2-oxoquinolin-4-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C12H12N2O3/c1-13-12(16)17-10-7-11(15)14(2)9-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,13,16)
InChIKeyDMZVERMOMSIYHZ-UHFFFAOYSA-N
XLogP1.26
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-oxoquinolin-4-yl) N-methylcarbamate?
The IUPAC name of (1-methyl-2-oxoquinolin-4-yl) N-methylcarbamate (CID 2786360) is (1-methyl-2-oxoquinolin-4-yl) N-methylcarbamate.
What is the SMILES notation for (1-methyl-2-oxoquinolin-4-yl) N-methylcarbamate?
The canonical SMILES for (1-methyl-2-oxoquinolin-4-yl) N-methylcarbamate is CNC(=O)Oc1cc(=O)n(C)c2ccccc12.
What is the InChIKey of (1-methyl-2-oxoquinolin-4-yl) N-methylcarbamate?
The InChIKey is DMZVERMOMSIYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-13-12(16)17-10-7-11(15)14(2)9-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,13,16).
What are the key properties of (1-methyl-2-oxoquinolin-4-yl) N-methylcarbamate?
(1-methyl-2-oxoquinolin-4-yl) N-methylcarbamate has a molecular weight of 232.24 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-oxoquinolin-4-yl) N-methylcarbamate is sourced from PubChem (CID 2786360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).