ethyl 8-(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate

C16H20N2O4 — CID 11948510

IUPACethyl 8-(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate
SMILESCCOC(=O)C1=CN(C)c2c(cccc2OC(=O)N(C)C)C1
InChIInChI=1S/C16H20N2O4/c1-5-21-15(19)12-9-11-7-6-8-13(14(11)18(4)10-12)22-16(20)17(2)3/h6-8,10H,5,9H2,1-4H3
InChIKeySWTSPPQGURJFEJ-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.19
Rot. Bonds3

About ethyl 8-(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate

ethyl 8-(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate (PubChem CID 11948510) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 8-(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate
PubChem CID11948510
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Nameethyl 8-(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate
SMILESCCOC(=O)C1=CN(C)c2c(cccc2OC(=O)N(C)C)C1
InChIInChI=1S/C16H20N2O4/c1-5-21-15(19)12-9-11-7-6-8-13(14(11)18(4)10-12)22-16(20)17(2)3/h6-8,10H,5,9H2,1-4H3
InChIKeySWTSPPQGURJFEJ-UHFFFAOYSA-N
XLogP2.19
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 8-(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate 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

ethyl 5,7-bis(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate
CID 11948335
ethyl 1H-indene-2-carboxylate
CID 15378309
[2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate
CID 122517571
ethyl 3-[bis(dimethylamino)phosphanyloxy]-2-methylbenzoate
CID 143507382
[2-(2-methyl-1H-isoquinolin-4-yl)phenyl] N,N-dimethylcarbamate
CID 11948479
(3-amino-2,3-dihydro-1H-inden-4-yl) N,N-dimethylcarbamate;hydrochloride
CID 45265587
ethyl 9H-xanthene-1-carboxylate
CID 53405461
benzoyl 2-(dimethylcarbamoyloxy)benzenecarboperoxoate
CID 53244935
[2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate
CID 24836204
ethyl 6-amino-5-cyano-4-[2-(dimethylcarbamoyloxy)phenyl]-2-methyl-4H-pyran-3-carboxylate
CID 169391948
[2-(morpholine-4-carbonyl)phenyl] N,N-dimethylcarbamate
CID 122368109
ethyl 1-piperidin-3-yl-4H-quinoline-3-carboxylate
CID 141255355

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate?
The IUPAC name of ethyl 8-(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate (CID 11948510) is ethyl 8-(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate is CCOC(=O)C1=CN(C)c2c(cccc2OC(=O)N(C)C)C1.
What is the InChIKey of ethyl 8-(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate?
The InChIKey is SWTSPPQGURJFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-5-21-15(19)12-9-11-7-6-8-13(14(11)18(4)10-12)22-16(20)17(2)3/h6-8,10H,5,9H2,1-4H3.
What are the key properties of ethyl 8-(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate?
ethyl 8-(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate is sourced from PubChem (CID 11948510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).