methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate

C13H17NO2 — CID 134691949

IUPACmethyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate
SMILESCCN1CCCc2ccc(C(=O)OC)cc21
InChIInChI=1S/C13H17NO2/c1-3-14-8-4-5-10-6-7-11(9-12(10)14)13(15)16-2/h6-7,9H,3-5,8H2,1-2H3
InChIKeyWSKCPUAJAJWUDG-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.25
Rot. Bonds2

About methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate

methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate (PubChem CID 134691949) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate
PubChem CID134691949
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate
SMILESCCN1CCCc2ccc(C(=O)OC)cc21
InChIInChI=1S/C13H17NO2/c1-3-14-8-4-5-10-6-7-11(9-12(10)14)13(15)16-2/h6-7,9H,3-5,8H2,1-2H3
InChIKeyWSKCPUAJAJWUDG-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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8-Fluoro-6-oxo-5,6-dihydro-phenanthridine-3-carboxylic acid methyl ester
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6-Oxo-5,6-dihydro-phenanthridine-3-carboxylic acid methyl ester
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methyl 4-(2,3-dihydro-1H-indol-1-ylmethyl)benzoate
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p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, methyl ester
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3-(Piperidin-1-yl)benzoic acid
CID 2795552
N-ethylisatoic anhydride
CID 3249856
Ethyl 3-(dimethylamino)benzoate
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Methyl indoline-6-carboxylate
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CID 337779

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate?
The IUPAC name of methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate (CID 134691949) is methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate.
What is the SMILES notation for methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate?
The canonical SMILES for methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate is CCN1CCCc2ccc(C(=O)OC)cc21.
What is the InChIKey of methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate?
The InChIKey is WSKCPUAJAJWUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-14-8-4-5-10-6-7-11(9-12(10)14)13(15)16-2/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate?
methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate is sourced from PubChem (CID 134691949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).