(1-methyl-2-oxoquinolin-4-yl) N,N-diethylcarbamate

C15H18N2O3 — CID 824966

IUPAC(1-methyl-2-oxoquinolin-4-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C15H18N2O3/c1-4-17(5-2)15(19)20-13-10-14(18)16(3)12-9-7-6-8-11(12)13/h6-10H,4-5H2,1-3H3
InChIKeyYXOLMRFCAFQOMZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.38
Rot. Bonds3

About (1-methyl-2-oxoquinolin-4-yl) N,N-diethylcarbamate

(1-methyl-2-oxoquinolin-4-yl) N,N-diethylcarbamate (PubChem CID 824966) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (1-methyl-2-oxoquinolin-4-yl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(1-methyl-2-oxoquinolin-4-yl) N,N-diethylcarbamate
PubChem CID824966
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(1-methyl-2-oxoquinolin-4-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C15H18N2O3/c1-4-17(5-2)15(19)20-13-10-14(18)16(3)12-9-7-6-8-11(12)13/h6-10H,4-5H2,1-3H3
InChIKeyYXOLMRFCAFQOMZ-UHFFFAOYSA-N
XLogP2.38
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-oxoquinolin-4-yl) N,N-diethylcarbamate?
The IUPAC name of (1-methyl-2-oxoquinolin-4-yl) N,N-diethylcarbamate (CID 824966) is (1-methyl-2-oxoquinolin-4-yl) N,N-diethylcarbamate.
What is the SMILES notation for (1-methyl-2-oxoquinolin-4-yl) N,N-diethylcarbamate?
The canonical SMILES for (1-methyl-2-oxoquinolin-4-yl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1cc(=O)n(C)c2ccccc12.
What is the InChIKey of (1-methyl-2-oxoquinolin-4-yl) N,N-diethylcarbamate?
The InChIKey is YXOLMRFCAFQOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-17(5-2)15(19)20-13-10-14(18)16(3)12-9-7-6-8-11(12)13/h6-10H,4-5H2,1-3H3.
What are the key properties of (1-methyl-2-oxoquinolin-4-yl) N,N-diethylcarbamate?
(1-methyl-2-oxoquinolin-4-yl) N,N-diethylcarbamate has a molecular weight of 274.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-oxoquinolin-4-yl) N,N-diethylcarbamate is sourced from PubChem (CID 824966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).