ethyl 3-ethyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate

C15H21NO3 — CID 110663128

IUPACethyl 3-ethyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1CC(CC)Cc2cc(OC)ccc21
InChIInChI=1S/C15H21NO3/c1-4-11-8-12-9-13(18-3)6-7-14(12)16(10-11)15(17)19-5-2/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeyQWPYRHOQMMZSJA-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.24
Rot. Bonds3

About ethyl 3-ethyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate

ethyl 3-ethyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 110663128) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 3-ethyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID110663128
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 3-ethyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1CC(CC)Cc2cc(OC)ccc21
InChIInChI=1S/C15H21NO3/c1-4-11-8-12-9-13(18-3)6-7-14(12)16(10-11)15(17)19-5-2/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeyQWPYRHOQMMZSJA-UHFFFAOYSA-N
XLogP3.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

2-(1-acetyl-6-ethoxy-3,4-dihydro-2H-quinolin-3-yl)acetic acid
CID 82626499
6-methoxy-3-methyl-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110663101
ethyl 6-methoxy-2H-quinazoline-1-carboxylate
CID 135058372
1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate
CID 19039847
2-(3-ethylazetidin-1-yl)-5-methoxyaniline
CID 79688157
4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one
CID 120561708
1-acetyl-6-ethoxy-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 82624457
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
(2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 107569298
6-methoxy-N,1-dimethyl-3,4-dihydro-2H-quinolin-3-amine
CID 83833453
5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 110742280

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of ethyl 3-ethyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate (CID 110663128) is ethyl 3-ethyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for ethyl 3-ethyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate is CCOC(=O)N1CC(CC)Cc2cc(OC)ccc21.
What is the InChIKey of ethyl 3-ethyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is QWPYRHOQMMZSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-11-8-12-9-13(18-3)6-7-14(12)16(10-11)15(17)19-5-2/h6-7,9,11H,4-5,8,10H2,1-3H3.
What are the key properties of ethyl 3-ethyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate?
ethyl 3-ethyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 110663128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).